Draft version Jiahao Wang Qingping Liu Yongqun Oliver He 2017-04-20 The Ontology of Chinese Medicine for Rheumatism (OCMR) is a biomedical ontology that represents traditional Chinese medications for treating various rheumatism diseases, their ingredients, and adverse events, and other related information. OWL-DL An ontology of adverse events associated with Chinese medicines. OCMR: Ontology of Chinese Medicine for Rheumatism Vision Release; 1.0.11 Relates an entity in the ontology to the name of the variable that is used to represent it in the code that generates the BFO OWL file from the lispy specification. Really of interest to developers only BFO OWL specification label BFO OWL specification label Relates an entity in the ontology to the term that is used to represent it in the the CLIF specification of BFO2 Person:Alan Ruttenberg Really of interest to developers only BFO CLIF specification label BFO CLIF specification label editor preferred term editor preferred term~editor preferred label The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English) PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> editor preferred label editor preferred term editor preferred term editor preferred term~editor preferred label example example of usage A phrase describing how a class name should be used. May also include other kinds of examples that facilitate immediate understanding of a class semantics, such as widely known prototypical subclasses or instances of the class. Although essential for high level terms, examples for low level terms (e.g., Affymetrix HU133 array) are not A phrase describing how a term should be used and/or a citation to a work which uses it. May also include other kinds of examples that facilitate immediate understanding, such as widely know prototypes or instances of a class, or cases where a relation is said to hold. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> example of usage example of usage has curation status PERSON:Alan Ruttenberg PERSON:Bill Bug PERSON:Melanie Courtot OBI_0000281 has curation status has curation status definition definition The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. 2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition definition textual definition editor note An administrative note intended for its editor. It may not be included in the publication version of the ontology, so it should contain nothing necessary for end users to understand the ontology. PERSON:Daniel Schober GROUP:OBI:<http://purl.obfoundry.org/obo/obi> IAO:0000116 uberon editor_note 1 editor_note editor note editor note term editor Name of editor entering the term in the file. The term editor is a point of contact for information regarding the term. The term editor may be, but is not always, the author of the definition, which may have been worked upon by several people 20110707, MC: label update to term editor and definition modified accordingly. See http://code.google.com/p/information-artifact-ontology/issues/detail?id=115. 20110707, MC: label update to term editor and definition modified accordingly. See https://github.com/information-artifact-ontology/IAO/issues/115. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition editor definition editor term editor term editor alternative term An alternative name for a class or property which means the same thing as the preferred name (semantically equivalent) PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> alternative term alternative term definition source formal citation, e.g. identifier in external database to indicate / attribute source(s) for the definition. Free text indicate / attribute source(s) for the definition. EXAMPLE: Author Name, URI, MeSH Term C04, PUBMED ID, Wiki uri on 31.01.2007 PERSON:Daniel Schober Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition source definition source curator note An administrative note of use for a curator but of no use for a user PERSON:Alan Ruttenberg IAO:0000232 uberon curator_notes true curator_notes IAO:0000232 uberon curator_notes 1 curator_notes curator note curator note curator notes imported from For external terms/classes, the ontology from which the term was imported PERSON:Alan Ruttenberg PERSON:Melanie Courtot GROUP:OBI:<http://purl.obolibrary.org/obo/obi> imported from imported from expand expression to expand assertion to elucidation person:Alan Ruttenberg Person:Barry Smith Primitive terms in a highest-level ontology such as BFO are terms which are so basic to our understanding of reality that there is no way of defining them in a non-circular fashion. For these, therefore, we can provide only elucidations, supplemented by examples and by axioms elucidation elucidation has associated axiom(nl) Person:Alan Ruttenberg Person:Alan Ruttenberg An axiom associated with a term expressed using natural language has associated axiom(nl) has associated axiom(nl) has associated axiom(fol) Person:Alan Ruttenberg Person:Alan Ruttenberg An axiom expressed in first order logic using CLIF syntax has associated axiom(fol) has associated axiom(fol) YH, JX a chinese translation represents a chinese translation of the existing term. Chinese translation The AE 'cough AE' has the 'label of AE outcome' of 'cough'; 'infection AE' has the 'label of AE outcom' of 'infection'. an annotation property that represents the label of an adverse event Yongqun Oliver He, Jiangan Hardy Xie label of adverse event outcome adverse event outcome has_meddra_id An assertion that holds between an OWL Object Property and a temporal interpretation that elucidates how OWL Class Axioms that use this property are to be interpreted in a temporal context. temporal interpretation https://github.com/oborel/obo-relations/wiki/ROAndTime tooth SubClassOf 'never in taxon' value 'Aves' x never in taxon T if and only if T is a class, and x does not instantiate the class expression "in taxon some T". Note that this is a shortcut relation, and should be used as a hasValue restriction in OWL. Chris Mungall ?X DisjointWith RO_0002162 some ?Y never in taxon An assertion that holds between an ontology class and an organism taxon class, which is intepreted to yield some relationship between instances of the ontology class and the taxon. taxonomic class assertion S dubious_for_taxon T if it is probably the case that no instances of S can be found in any instance of T. RO:0002174 uberon dubious_for_taxon 1 1 dubious_for_taxon this relation lacks a strong logical interpretation, but can be used in place of never_in_taxon where it is desirable to state that the definition of the class is too strict for the taxon under consideration, but placing a never_in_taxon link would result in a chain of inconsistencies that will take time to resolve. Example: metencephalon in teleost dubious_for_taxon S present_in_taxon T if some instance of T has some S. This does not means that all instances of T have an S - it may only be certain life stages or sexes that have S RO:0002175 applicable for taxon uberon present_in_taxon 1 1 present_in_taxon present_in_taxon An assertion that involves at least one OWL object that is intended to be expanded into one or more logical axioms. The logical expansion can yield axioms expressed using any formal logical system, including, but not limited to OWL2-DL. logical macro assertion https://github.com/oborel/obo-relations/wiki/ShortcutRelations A logical macro assertion whose domain is an IRI for a class The domain for this class can be considered to be owl:Class, but we cannot assert this in OWL2-DL logical macro assertion on a class A logical macro assertion whose domain is an IRI for a property logical macro assertion on a property logical macro assertion on an object property logical macro assertion on an annotation property relation p is the direct form of relation q iff p is a subPropertyOf q, p does not have the Transitive characteristic, q does have the Transitive characteristic, and for all x, y: x q y -> exists z1, z2, ..., zn such that x p z1 ... z2n y If we have the annotation P is-direct-form-of Q, and we have inverses P' and Q', then it follows that P' is-direct-form-of Q' Chris Mungall is direct form of An alternate textual definition for a class taken unmodified from an external source. This definition may have been used to derive a generalized definition for the new class. UBPROP:0000001 uberon external_definition true external_definition UBPROP:0000001 uberon external_definition 1 external_definition This annotation property may be replaced with an annotation property from an external ontology such as IAO external_definition A textual description of an axiom loss in this ontology compared to an external ontology. UBPROP:0000002 uberon axiom_lost_from_external_ontology 1 axiom_lost_from_external_ontology This annotation property may be replaced with an annotation property from an external ontology such as IAO axiom_lost_from_external_ontology Notes on the homology status of this class. UBPROP:0000003 uberon homology_notes 1 homology_notes This annotation property may be replaced with an annotation property from an external ontology such as IAO homology_notes An alternate comment for a class taken unmodified from an external source. Note that obo format only allows a single comment for a class, and does not provide a structured means of adding provenance info. UBPROP:0000005 uberon external_comment 1 external_comment This annotation property may be replaced with an annotation property from an external ontology such as IAO external_comment UBPROP:0000006 uberon implements_design_pattern 1 implements_design_pattern implements_design_pattern Used to connect a class to an adjectival form of its label. For example, a class with label 'intestine' may have a relational adjective 'intestinal'. UBPROP:0000007 uberon has_relational_adjective true has_relational_adjective UBPROP:0000007 uberon has_relational_adjective 1 has_relational_adjective has_relational_adjective Notes on the how instances of this class vary across species. UBPROP:0000008 uberon taxon_notes 1 taxon_notes taxon_notes Notes on the evolved function of instances of this class. This annotation property may be replaced with an annotation property from an external ontology such as IAO UBPROP:0000009 uberon function_notes 1 function_notes function_notes Notes on the structure, composition or histology of instances of this class. This annotation property may be replaced with an annotation property from an external ontology such as IAO UBPROP:0000010 uberon structure_notes 1 structure_notes structure_notes Notes on the ontogenic development of instances of this class. This annotation property may be replaced with an annotation property from an external ontology such as IAO UBPROP:0000011 uberon development_notes 1 development_notes development_notes Notes on how similar or equivalent classes are represented in other ontologies. This annotation property may be replaced with an annotation property from an external ontology such as IAO UBPROP:0000012 uberon external_ontology_notes 1 external_ontology_notes external_ontology_notes Notes on how lexical conventions regarding this class, in particular any issues that may arise due to homonyny or synonymy. This annotation property may be replaced with an annotation property from an external ontology such as IAO UBPROP:0000013 uberon terminology_notes 1 terminology_notes terminology_notes UBPROP:0000100 uberon is_count_of 1 is_count_of is count of A property used in conjunction with repeated_element_number to indicate an axis and directionality along that axis. If P preceding_element_is R, and P is_count_of S, and X P N, and X' P N+1, then it follows that every X R some X', and the class expression [S and R some X' and inv(R) some X] is empty (i.e. X is followed by X', with no intermediates) UBPROP:0000101 uberon preceding_element_is 1 preceding_element_is preceding element is x phalanx_number N if and only if (i) x is a phalanx, and (ii) x is phalanx number N in a series of phalanges repeated along an prixomo-distal axis, with phalanx_number 1 being the proximalmost phalanx. Note that in humans, the distalmost phalanx has phlanax_number 3, except in ray_number 1, where the distalmost has phalanx_number 2 UBPROP:0000105 uberon phalanx_number 1 phalanx_number Most land mammals including humans have a 2-3-3-3-3 formula in both the hands (or paws) and feet. Primitive reptiles typically had the formula 2-3-4-4-5, and this pattern, with some modification, remained in many later reptiles and in the mammal-like reptiles. The phalangeal formula in the flippers of cetaceans (marine mammals) is 2-12-8-1 phalanx number FMA has terms like 'set of X'. In general we do not include set-of terms in uberon, but provide a mapping between the singular form and the FMA set term UBPROP:0000202 uberon fma_set_term 1 fma_set_term fma_set_term A metadata relation between a class and its taxonomic rank (eg species, family) ncbi_taxonomy has_rank eco subset CUMBO developmental_classification A class that represents an early developmental structure, like a blastocyst. This part of the ontology is undergoing review to remove inappropriate grouping classes. EFO slim derived from the union of EHDAA2 and EMAPA - still to be checked functional_classification Subset consisting of classes creating for grouping purposes A grouping class that depends on an assumption of homology between subclasses classes that have some inconsistency with FMA somewhat fuzzy grouping for analysis purposes, currently composed of something like: liver, heart, skeletal, kidney, bladder, brain, skin, mouth, esophagus, stomach, small intestine, large intestines, trachea nose, lungs, brain, spinal cord, peripheral nerves, kidneys, ureters, bladder, urethra, gonads abstract class brought in to group ontology classes but not informative organs, excluding individual muscles and skeletal elements Phenotype slim Uberon slim - subset that excludes obscure terms and deep compositional terms abstract upper-level terms not directly useful for analysis core classes typically found across vertebrates. one purpose is to create a rough set of terms that could be used to start a new vertebrate AO uberon dc-contributor 1 dc-contributor contributor Source Source subset_property has_alternative_id has_broad_synonym database_cross_reference has_exact_synonym has_narrow_synonym has_obo_namespace has_related_synonym in_subset shorthand label uberon foaf-depicted_by 1 foaf-depicted_by depicted_by is part of my brain is part of my body (continuant parthood, two material entities) my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity) this day is part of this year (occurrent parthood) a core relation that holds between a part and its whole Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime part_of BFO:0000050 uberon part_of part_of part of part of http://www.obofoundry.org/ro/#OBO_REL:part_of bearer of bearer_of http://purl.obolibrary.org/obo/omrse.owl is bearer of is_bearer_of realized in this disease is realized in this disease course this fragility is realized in this shattering this investigator role is realized in this investigation is realized by realized_in http://purl.obolibrary.org/obo/ro.owl [copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process realized in site of [copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant contains process X proximal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the proximal portion. BSPO:0000124 uberon in_proximal_side_of in_proximal_side_of in_proximal_side_of X distal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the distal portion. BSPO:0000125 uberon in_distal_side_of in_distal_side_of in_distal_side_of inheres in this fragility inheres in this vase this red color inheres in this apple a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence A dependent inheres in its bearer at all times for which the dependent exists. inheres_in http://purl.obolibrary.org/obo/ro.owl inheres in has participant this blood coagulation has participant this blood clot this investigation has participant this investigator this process has participant this input material (or this output material) a relation between a process and a continuant, in which the continuant is somehow involved in the process Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time. has_participant http://purl.obolibrary.org/obo/ro.owl http://www.obofoundry.org/ro/#OBO_REL:has_participant has participant David Osumi-Sutherland <= Primitive instance level timing relation between events before or simultaneous with Relation between occurrents, shares start and end boundaries. David Osumi-Sutherland RO:0002082 coincides_with is_equal_to uberon simultaneous_with simultaneous_with t1 simultaneous_with t2 iff:= t1 before_or_simultaneous_with t2 and not (t1 before t2) simultaneous with simultaneous_with David Osumi-Sutherland X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) ends after David Osumi-Sutherland ends_at_start_of meets X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) immediately precedes David Osumi-Sutherland io X starts_during Y iff: (start(Y) before_or_simultaneous_with start(X)) AND (start(X) before_or_simultaneous_with end(Y)) starts during David Osumi-Sutherland d during X happens_during Y iff: (start(Y) before_or_simultaneous_with start(X)) AND (end(X) before_or_simultaneous_with end(Y)) happens during David Osumi-Sutherland o overlaps X ends_during Y iff: ((start(Y) before_or_simultaneous_with end(X)) AND end(X) before_or_simultaneous_with end(Y). ends during x overlaps y if and only if there exists some z such that x has part z and z part of y http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y) overlaps RO:0002158 uberon homologous_to homologous_to homologous_to RO:0002177 uberon attaches_to_part_of attaches_to_part_of attaches_to_part_of RO:0002202 uberon develops_from develops_from develops_from RO:0002203 uberon develops_into develops_into develops_into Chris Mungall Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends. https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. temporally related to RO:0002258 uberon developmentally_preceded_by developmentally_preceded_by developmentally preceded by A mereological relationship or a topological relationship Chris Mungall Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships mereotopologically related to RO:0002507 uberon has_material_contribution_from has_material_contribution_from has material contribution from X in_central_side Y <=> if Y is subdivided into left and right portions around some median divisor, all parts of X are closer to the median divisor than the outermost lateral sides. uberon in_central_side_of in_central_side_of https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern uberon transitively_connected_to transitively_connected to . uberon transitively_distally_connected_to transitively distally connected to . uberon transitively_proximally_connected_to transitively proximally connected to http://purl.org/obo/owl/relationship OBO_REL:0000007 relationship has_proper_part has_proper_part BFO:0000001 entity Entity Julius Caesar Verdi’s Requiem the Second World War your body mass index BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) entity BFO:0000002 continuant Continuant An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] continuant BFO:0000003 occurrent Occurrent An entity that has temporal parts and that happens, unfolds or develops through time. BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] occurrent BFO:0000004 ic IndependentContinuant a chair a heart a leg a molecule a spatial region an atom an orchestra. an organism the bottom right portion of a human torso the interior of your mouth A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] independent continuant BFO:0000015 process Process a process of cell-division, \ a beating of the heart a process of meiosis a process of sleeping the course of a disease the flight of a bird the life of an organism your process of aging. An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] process BFO:0000016 disposition Disposition an atom of element X has the disposition to decay to an atom of element Y certain people have a predisposition to colon cancer children are innately disposed to categorize objects in certain ways. the cell wall is disposed to filter chemicals in endocytosis and exocytosis BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] disposition BFO:0000017 realizable RealizableEntity the disposition of this piece of metal to conduct electricity. the disposition of your blood to coagulate the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] realizable entity BFO:0000019 quality Quality the ambient temperature of this portion of air the color of a tomato the length of the circumference of your waist the mass of this piece of gold. the shape of your nose the shape of your nostril a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] quality BFO:0000020 sdc SpecificallyDependentContinuant Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key of one-sided specifically dependent continuants: the mass of this tomato of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. the disposition of this fish to decay the function of this heart: to pump blood the mutual dependence of proton donors and acceptors in chemical reactions [79 the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction the pink color of a medium rare piece of grilled filet mignon at its center the role of being a doctor the shape of this hole. the smell of this portion of mozzarella A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] specifically dependent continuant BFO:0000023 role Role John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. the priest role the role of a boundary to demarcate two neighboring administrative territories the role of a building in serving as a military target the role of a stone in marking a property boundary the role of subject in a clinical trial the student role A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] role BFO:0000027 object-aggregate ObjectAggregate a collection of cells in a blood biobank. a swarm of bees is an aggregate of members who are linked together through natural bonds a symphony orchestra an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) defined by fiat: the aggregate of members of an organization defined through physical attachment: the aggregate of atoms in a lump of granite defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container defined via attributive delimitations such as: the patients in this hospital the aggregate of bearings in a constant velocity axle joint the aggregate of blood cells in your body the nitrogen atoms in the atmosphere the restaurants in Palo Alto your collection of Meissen ceramic plates. An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] object aggregate BFO:0000029 site Site Manhattan Canyon) a hole in the interior of a portion of cheese a rabbit hole an air traffic control region defined in the airspace above an airport the Grand Canyon the Piazza San Marco the cockpit of an aircraft the hold of a ship the interior of a kangaroo pouch the interior of the trunk of your car the interior of your bedroom the interior of your office the interior of your refrigerator the lumen of your gut your left nostril (a fiat part – the opening – of your left nasal cavity) b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] site BFO:0000030 object Object atom cell cells and organisms engineered artifacts grain of sand molecule organelle organism planet solid portions of matter star BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 BFO 2 Reference: an object is a maximal causally unified material entity BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) object BFO:0000031 gdc GenericallyDependentContinuant The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. the pdf file on your laptop, the pdf file that is a copy thereof on my laptop the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] generically dependent continuant BFO:0000040 material MaterialEntity a flame a forest fire a human being a hurricane a photon a puff of smoke a sea wave a tornado an aggregate of human beings. an energy wave an epidemic the undetached arm of a human being BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] material entity BFO:0000141 immaterial ImmaterialEntity BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 immaterial entity A carbazole that has formula C22H24N2O4. CAS:125-15-5 KEGG:C09255 KNApSAcK:C00001788 Vomicine chebi_ontology 380.438 C22H24N2O4 CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1 ZMTYENXGROJCEA-LNKPQSDASA-N CHEBI:10019 Vomicine CHEBI:10019 A sesquiterpenoid that has formula C43H49NO19. CAS:37239-51-3 KEGG:C09992 KNApSAcK:C00001987 Wilfordine chebi_ontology 883.846 C43H49NO19 CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]11O[C@@]3(C)COC(=O)c3cccnc3CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c3ccccc3)[C@@H]2OC(C)=O)[C@]1(C)O InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1 XQDBHSNYTFRCNJ-OURLNJDISA-N CHEBI:10039 Wilfordine CHEBI:10039 A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group. CAS:638-95-9 KEGG:C08615 KNApSAcK:C00003737 LIPID_MAPS_instance:LMPR0106170001 MetaCyc:CPD-8250 PMID:10848960 PMID:15626726 PMID:15659316 PMID:18129592 PMID:19488928 PMID:21575133 Reaxys:1916550 (3beta)-urs-12-en-3-ol alpha-Amyrin alpha-amyrin chebi_ontology 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol 426.71740 5alpha-urs-12-en-3beta-ol C30H50O FSLPMRQHCOLESF-SFMCKYFRSA-N InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C alpha-amyrenol alpha-amyrine urs-12-ene-3beta-ol viminalol CHEBI:10213 alpha-amyrin CHEBI:10213 A triterpenoid that has formula C30H48O3. CAS:28282-27-1 KEGG:C08623 KNApSAcK:C00003744 alpha-Elemolic acid chebi_ontology 456.701 C30H48O3 CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(O)=O InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1 NBSBUIQBEPROBM-IMJUUJEHSA-N CHEBI:10274 alpha-Elemolic acid CHEBI:10274 A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants. CAS:559-70-6 KEGG:C08616 KNApSAcK:C00003738 LIPID_MAPS_instance:LMPR0106150015 MetaCyc:CPD-6948 PMID:16478469 PMID:17803686 PMID:21046981 PMID:24079177 PMID:24960408 PMID:25026352 PMID:25115087 PMID:5639923 PMID:6875511 Reaxys:2063468 beta-Amyrin beta-amyrin olean-12-en-3beta-ol chebi_ontology (3beta)-olean-12-en-3-ol 3beta-hydroxyolean-12-ene 426.71740 C30H50O InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 JFSHUTJDVKUMTJ-QHPUVITPSA-N [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C amyrin beta-Amyrenol CHEBI:10352 beta-amyrin CHEBI:10352 Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV. KEGG:C05359 PMID:21614077 electron chebi_ontology 0.000548579903 [*-] beta beta(-) beta-particle e e(-) e- negatron CHEBI:10545 electron CHEBI:10545 An oxo steroid that has formula C20H24O3. LINCS:LSM-25629 chebi_ontology 312.404 C20H24O3 CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1 KPXIBWGPZSPABK-FXAWDEMLSA-N CHEBI:114185 (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one CHEBI:114185 A group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids. Vitamin A is involved in immune function, vision, reproduction, and cellular communication. Wikipedia:Vitamin_A chebi_ontology CHEBI:12777 vitamin A CHEBI:12777 D-galacto-hexose D-galactose chebi_ontology 180.15588 C6H12O6 D-Gal CHEBI:12936 D-galactose CHEBI:12936 Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. chebi_ontology Mycoplasma genitalium metabolites CHEBI:131604 Mycoplasma genitalium metabolite CHEBI:131604 A steroid compound with a structure based on a 27-carbon (cholestane) skeleton. chebi_ontology C27-steroids CHEBI:131619 C27-steroid CHEBI:131619 A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7). Wikipedia:DNA_polymerase chebi_ontology DNA duplicase inhibitor DNA duplicase inhibitors DNA nucleotidyltransferase (DNA-directed) inhibitor DNA nucleotidyltransferase (DNA-directed) inhibitors DNA nucleotidyltransferase inhibitor DNA nucleotidyltransferase inhibitors DNA polymerase I inhibitor DNA polymerase I inhibitors DNA polymerase II inhibitor DNA polymerase II inhibitors DNA polymerase III inhibitor DNA polymerase III inhibitors DNA polymerase alpha inhibitor DNA polymerase alpha inhibitors DNA polymerase beta inhibitor DNA polymerase beta inhibitors DNA polymerase gamma inhibitor DNA polymerase gamma inhibitors DNA polymerase inhibitor DNA polymerase inhibitors DNA replicase inhibitor DNA replicase inhibitors DNA-dependent DNA polymerase inhibitor DNA-dependent DNA polymerase inhibitors DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors EC 2.7.7.7 inhibitor EC 2.7.7.7 inhibitors Klenow fragment inhibitor Klenow fragment inhibitors Taq DNA polymerase inhibitor Taq DNA polymerase inhibitors Taq Pol I inhibitor Taq Pol I inhibitors Tca DNA polymerase inhibitor Tca DNA polymerase inhibitors deoxynucleate polymerase inhibitor deoxynucleate polymerase inhibitors deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors deoxyribonucleate nucleotidyltransferase inhibitor deoxyribonucleate nucleotidyltransferase inhibitors deoxyribonucleic acid duplicase inhibitor deoxyribonucleic acid duplicase inhibitors deoxyribonucleic acid polymerase inhibitor deoxyribonucleic acid polymerase inhibitors deoxyribonucleic duplicase inhibitor deoxyribonucleic duplicase inhibitors deoxyribonucleic polymerase I inhibitor deoxyribonucleic polymerase I inhibitors deoxyribonucleic polymerase inhibitor deoxyribonucleic polymerase inhibitors duplicase inhibitor duplicase inhibitors sequenase inhibitor sequenase inhibitors CHEBI:131699 EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor CHEBI:131699 Any steroid (or derivative) based on a stigmastane skeleton. chebi_ontology stigmastane derivatives CHEBI:131702 stigmastane derivative CHEBI:131702 Any sterol based on a stigmastane skeleton. chebi_ontology stigmastane sterols CHEBI:131703 stigmastane sterol CHEBI:131703 Any monounsaturated fatty acid carrying one or more hydroxy substituents. chebi_ontology hydroxy MUFA hydroxy monounsaturated fatty acids CHEBI:131869 hydroxy monounsaturated fatty acid CHEBI:131869 Any organic heterobicyclic compound containing two ortho-fused pyran rings. chebi_ontology pyranopyrans CHEBI:131900 pyranopyran CHEBI:131900 A pyranopyran in which at least one of the pyran rings in the pyranopyran skeleton is substituted by an oxo group. chebi_ontology pyranopyranones CHEBI:131901 pyranopyranone CHEBI:131901 chebi_ontology pyran-4-ones CHEBI:131906 4-pyranones CHEBI:131906 A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens. chebi_ontology dicarboxylic acids and derivatives CHEBI:131927 dicarboxylic acids and O-substituted derivatives CHEBI:131927 A fatty acid ethyl ester resulting from the formal condensation of the carboxy group of a long-chain fatty acid with the hydroxy group of ethanol. chebi_ontology 73.07060 C3H5O2R CCOC([*])=O a long-chain fatty acyl ethyl ester long-chain fatty acid ethyl esters long-chain fatty acyl ethyl ester long-chain fatty acyl ethyl esters CHEBI:13209 long-chain fatty acid ethyl ester CHEBI:13209 An organic heteropentacyclic compound and pyridine alkaloid with formula C43H49NO18 originally isolated from the roots of Tripterygium wilfordii. CAS:11088-09-8 CBA:350230 CBA:353089 CBA:642181 PMID:11738408 PMID:18976997 PMID:21982911 PMID:24651642 PMID:25425175 PMID:25958670 PMID:4712613 (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0(1,21).0(3,24).0(7,12)]hexacosa-7,9,11-trien-19-yl benzoate chebi_ontology 867.847 C43H49NO18 InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1 ZOCKGJZEUVPPPI-QSNSFFMXSA-N [C@@]12([C@@H]([C@@H]([C@@]3([C@H]([C@]14[C@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C=5C=CC=CC5)OC([C@H](CCC6=NC=CC=C6C(OC[C@@]3(O4)C)=O)C)=O)(O)C)OC(C)=O)[H])OC(C)=O)OC(=O)C)COC(C)=O CHEBI:132150 wilforine CHEBI:132150 A dihydroagarofuran sesquiterpenoid that is isolated from Tripterygium wilfordii. CAS:111514-63-7 KNApSAcK:C00013134 PMID:8722541 Reaxys:6553794 Wikipedia:Triptofordin_C-2 (3R,4S,5R,5aS,6R,7S,9R,9aS,10R)-6,10-bis(acetyloxy)-7,9-dihydroxy-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine-4,5-diyl dibenzoate chebi_ontology (-)-Triptofordin C 2 610.649 C-2 Triptofordin C33H38O11 FOIOSVGAFMLLDU-UDIRGPGZSA-N InChI=1S/C33H38O11/c1-18(34)40-25-22(36)17-31(5,39)33-26(41-19(2)35)23(30(3,4)44-33)24(42-28(37)20-13-9-7-10-14-20)27(32(25,33)6)43-29(38)21-15-11-8-12-16-21/h7-16,22-27,36,39H,17H2,1-6H3/t22-,23+,24-,25-,26+,27-,31+,32-,33-/m0/s1 [C@]123[C@]([C@H]([C@H]([C@]([C@H]1OC(C)=O)(C(O2)(C)C)[H])OC(C=4C=CC=CC4)=O)OC(C5=CC=CC=C5)=O)([C@H]([C@H](C[C@]3(O)C)O)OC(=O)C)C triptofordin C-2 CHEBI:132152 triptofordin C 2 CHEBI:132152 A spermidine alkaloid that is isolated from Maytenus heterophylla and Maytenus senegalensis. CAS:53938-05-9 PMID:22470236 PMID:26487315 Reaxys:4720682 (2S)-2-phenyl-9-[(2E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one chebi_ontology (-)-celacinnine (S)-(-)-celacinnine (S)-celacinnine 405.533 C1C(NCCCN(CCCCN[C@@H]1C=2C=CC=CC2)C(/C=C/C=3C=CC=CC3)=O)=O C25H31N3O2 InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1 OROFOUPCOTVAJQ-NSFRLNINSA-N CHEBI:132186 celacinnine CHEBI:132186 A diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. CBA:292103 PMID:10774048 PMID:12903464 PMID:24346247 PMID:25296383 PMID:25308753 PMID:5072337 PMID:8237400 PMID:9863222 Reaxys:5313008 (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-3b,4,4a,7a,7b,8b,9,10-octahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione chebi_ontology (-)-triptonide 358.386 C20H22O6 InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1 SWOVVKGLGOOUKI-ZHGGVEMFSA-N [C@]123[C@]4(CCC5=C([C@@]4(C[C@H]6[C@]3(C([C@@]7([C@H]([C@@H]1O2)O7)C(C)C)=O)O6)[H])COC5=O)C CHEBI:132267 triptonide CHEBI:132267 pubchem.ncbi.nlm.nih.gov/compound/10322911 Pubchem:10322911 chebi_ontology CHEBI:132314 Demethylzeylasteral CHEBI:132314 pubchem.ncbi.nlm.nih.gov/compound/101936043 Pubchem:101936043 chebi_ontology CHEBI:132315 Triptohypol A CHEBI:132315 A tetracyclic diterpenoid that is isolated from Tripterygium wilfordii and exhibits anti-inflammatory properties. CAS:99694-86-7 Reaxys:9526173 Wikipedia:Triptolidenol (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-6a-(2-hydroxypropan-2-yl)-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one chebi_ontology 15-Hydroxytriptolide 376.401 APBNDXHFQWSYOS-KSYZUNFVSA-N C20H24O7 CC(O)(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@]5([H])C[C@@H]7O[C@]47[C@@H]2O InChI=1S/C20H24O7/c1-16(2,23)19-12(26-19)13-20(27-13)17(3)5-4-8-9(7-24-14(8)21)10(17)6-11-18(20,25-11)15(19)22/h10-13,15,22-23H,4-7H2,1-3H3/t10-,11-,12-,13-,15-,17-,18+,19-,20+/m0/s1 CHEBI:132333 triptolidenol CHEBI:132333 pubchem.ncbi.nlm.nih.gov/compound/124030 Pubchem:124030 chebi_ontology CHEBI:132334 Wilforgine CHEBI:132334 https://pubchem.ncbi.nlm.nih.gov/compound/58636974 Pubchem:58636974 chebi_ontology CHEBI:132336 triptriolide CHEBI:132336 https://pubchem.ncbi.nlm.nih.gov/compound/192372#section=Top Pubchem:192372 chebi_ontology NSC672174 CHEBI:132337 triptoditerpenic acid B CHEBI:132337 http://pubchem.ncbi.nlm.nih.gov/compound/101936044 PMID:12165306 Pubchem:101936044 (2R,4aS,6aS,12bR,14aS,14bR)-11-hydroxy-10-methoxy-2,4a,6a,9,12b,14a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid chebi_ontology 480.637 C12=CC(=C(C(=C1C(C=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@]4(C[C@](CC5)(C)C(O)=O)[H])C)C)C)C)=O)C)OC)O C30H40O5 InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)35-7)28(4)11-13-30(6)22-16-27(3,25(33)34)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32H,8-13,16H2,1-7H3,(H,33,34)/t22-,26-,27-,28+,29-,30+/m1/s1 KFGGKCFEQGLWFO-NLVUKCNFSA-N CHEBI:132338 triptohypol B CHEBI:132338 https://pubchem.ncbi.nlm.nih.gov/compound/101062653 Pubchem:101062653 chebi_ontology CHEBI:132339 triptohypol D CHEBI:132339 https://pubchem.ncbi.nlm.nih.gov/compound/10411574 Pubchem:10411574 chebi_ontology dihydrocelastrol CHEBI:132340 triptohypol C CHEBI:132340 https://pubchem.ncbi.nlm.nih.gov/compound/101936045#section=Top Pubchem:101936045 chebi_ontology CHEBI:132341 hypodiol CHEBI:132341 https://pubchem.ncbi.nlm.nih.gov/compound/44559123 Pubchem:44559123 chebi_ontology CHEBI:132342 triptohypol E CHEBI:132342 https://pubchem.ncbi.nlm.nih.gov/compound/91895434 Pubchem:91895434 chebi_ontology CHEBI:132343 Triptohypol F CHEBI:132343 https://pubchem.ncbi.nlm.nih.gov/compound/101936042 Pubchem:101936042 chebi_ontology CHEBI:132344 celastolide CHEBI:132344 https://pubchem.ncbi.nlm.nih.gov/compound/586214 Pubchem:586214 chebi_ontology CHEBI:132345 Canophyllal CHEBI:132345 https://pubchem.ncbi.nlm.nih.gov/compound/133766#section=Top Pubchem:133766 chebi_ontology (3br,9bs)-9-hydroxy-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3h)-one Vendors Literature CHEBI:132346 neotriptophenolide CHEBI:132346 https://pubchem.ncbi.nlm.nih.gov/compound/133221#section=Top Pubchem:133221 chebi_ontology CHEBI:132347 triptonolide CHEBI:132347 An abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3 and 14 respectively by oxo and hydroxy groups. It is found in Tripterygium wilfordii. CAS:99694-87-8 KNApSAcK:C00035772 PMID:17265278 PMID:25237706 Reaxys:7432793 14-hydroxyabieta-8(14),9(11),12-trien-3-one chebi_ontology 300.436 C20H28O2 InChI=1S/C20H28O2/c1-12(2)13-6-8-15-14(18(13)22)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h6,8,12,16,22H,7,9-11H2,1-5H3/t16-,20+/m0/s1 O=C1C([C@]2([C@](CC1)(C=3C(CC2)=C(O)C(=CC3)C(C)C)C)[H])(C)C WENIWZBFJBCNNG-OXJNMPFZSA-N CHEBI:132348 triptonoterpene CHEBI:132348 https://pubchem.ncbi.nlm.nih.gov/compound/15762008 Pubchem:15762008 chebi_ontology CHEBI:132349 triptobenzene A CHEBI:132349 https://pubchem.ncbi.nlm.nih.gov/compound/101712250 Pubchem:101712250 chebi_ontology CHEBI:132350 triptobenzene D CHEBI:132350 https://pubchem.ncbi.nlm.nih.gov/compound/53363843 Pubchem:53363843 chebi_ontology CHEBI:132351 Triptobenzene H CHEBI:132351 https://pubchem.ncbi.nlm.nih.gov/compound/132524#section=Top Pubchem:132524 chebi_ontology CHEBI:132352 triptoquinone A CHEBI:132352 https://pubchem.ncbi.nlm.nih.gov/compound/11724191 Pubchem:11724191 chebi_ontology CHEBI:132353 triptoquinone B CHEBI:132353 https://pubchem.ncbi.nlm.nih.gov/compound/101062652 Pubchem:101062652 chebi_ontology CHEBI:132354 triptoquinone H CHEBI:132354 An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of procollagen-proline dioxygenase (EC 1.14.11.2). Wikipedia:Procollagen-proline_dioxygenase chebi_ontology EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitors EC 1.14.11.2 inhibitor EC 1.14.11.2 inhibitors collagen proline hydroxylase inhibitor collagen proline hydroxylase inhibitors hydroxylase, collagen proline inhibitor hydroxylase, collagen proline inhibitors peptidyl proline hydroxylase inhibitor peptidyl proline hydroxylase inhibitors procollagen-L-proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitor procollagen-L-proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitors procollagen-proline 4-dioxygenase inhibitor procollagen-proline 4-dioxygenase inhibitors procollagen-proline dioxygenase (EC 1.14.11.2) inhibitor procollagen-proline dioxygenase (EC 1.14.11.2) inhibitors procollagen-proline dioxygenase inhibitor procollagen-proline dioxygenase inhibitors procollagen-proline,2-oxoglutarate-4-dioxygenase inhibitor procollagen-proline,2-oxoglutarate-4-dioxygenase inhibitors proline hydroxylase inhibitor proline hydroxylase inhibitors proline protocollagen hydroxylase inhibitor proline protocollagen hydroxylase inhibitors proline, 2-oxoglutarate dioxygenase inhibitor proline, 2-oxoglutarate dioxygenase inhibitors proline,2-oxoglutarate 4-dioxygenase inhibitor proline,2-oxoglutarate 4-dioxygenase inhibitors prolyl 4-hydroxylase inhibitor prolyl 4-hydroxylase inhibitors prolyl hydroxylase inhibitor prolyl hydroxylase inhibitors prolyl-glycyl-peptide, 2-oxoglutarate:oxygen oxidoreductase, 4-hydroxylating inhibitor prolyl-glycyl-peptide, 2-oxoglutarate:oxygen oxidoreductase, 4-hydroxylating inhibitors prolylprotocollagen dioxygenase inhibitor prolylprotocollagen dioxygenase inhibitors prolylprotocollagen hydroxylase inhibitor prolylprotocollagen hydroxylase inhibitors protocollagen hydroxylase inhibitor protocollagen hydroxylase inhibitors protocollagen proline 4-hydroxylase inhibitor protocollagen proline 4-hydroxylase inhibitors protocollagen proline dioxygenase inhibitor protocollagen proline dioxygenase inhibitors protocollagen proline hydroxylase inhibitor protocollagen proline hydroxylase inhibitors protocollagen prolyl hydroxylase inhibitor protocollagen prolyl hydroxylase inhibitors CHEBI:132365 EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor CHEBI:132365 From EC 2.4.1.17: This entry denotes a family of enzymes accepting a wide range of substrates, including phenols, alcohols, amines and fatty acids. So R can also 'start' with an N MetaCyc:Glucuronosylated-Glucuronoside-Acceptors chebi_ontology 176.032 C6H8O6R [C@@H]1(*)O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O acceptor beta-D-glucuronoside CHEBI:132367 acceptor beta-D-glucuronoside(1-) CHEBI:132367 https://pubchem.ncbi.nlm.nih.gov/compound/127707 Pubchem:127707 chebi_ontology CHEBI:132370 triptotriterpenic acid A CHEBI:132370 https://pubchem.ncbi.nlm.nih.gov/compound/44575705#section=Top Pubchem:44575705 chebi_ontology CHEBI:132371 triptocallic acid D CHEBI:132371 https://pubchem.ncbi.nlm.nih.gov/compound/101937091 Pubchem:101937091 chebi_ontology CHEBI:132372 triptocallic acid C CHEBI:132372 https://pubchem.ncbi.nlm.nih.gov/compound/6452118 Pubchem:6452118 chebi_ontology AC1O54QP CHEBI:132373 mesembryanthemoidigenic acid CHEBI:132373 https://pubchem.ncbi.nlm.nih.gov/compound/91895429 Pubchem:91895429 chebi_ontology CHEBI:132374 29-hydroxyfriedelan-3-one CHEBI:132374 https://pubchem.ncbi.nlm.nih.gov/compound/101707494 Pubchem:101707494 chebi_ontology CHEBI:132375 wilforic acid C CHEBI:132375 https://pubchem.ncbi.nlm.nih.gov/compound/101707492 Pubchem:101707492 chebi_ontology CHEBI:132376 Wilforic acid CHEBI:132376 https://pubchem.ncbi.nlm.nih.gov/compound/10096097 Pubchem:10096097 chebi_ontology CHEBI:132378 wilforol A CHEBI:132378 https://pubchem.ncbi.nlm.nih.gov/compound/10366522 Pubchem:10366522 chebi_ontology CHEBI:132379 wilforol B CHEBI:132379 https://pubchem.ncbi.nlm.nih.gov/compound/9869964#section=Top Pubchem:9869964 chebi_ontology CHEBI:132380 cangoronin CHEBI:132380 https://pubchem.ncbi.nlm.nih.gov/compound/101408619 Pubchem:101408619 chebi_ontology CHEBI:132381 2-O-deacetyleuonine CHEBI:132381 https://pubchem.ncbi.nlm.nih.gov/compound/101416498 Pubchem:101416498 chebi_ontology CHEBI:132382 tripfordine C CHEBI:132382 A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. CAS:262599-02-0 KNApSAcK:C00046976 chebi_ontology 763.740 C36H45NO17 InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24+,25-,26+,27+,28-,29-,30+,33-,34-,35-,36-/m0/s1 NZJBHDRNBSDTHF-XWOHFTJRSA-N [C@H]1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C5=C([C@H]1C)C=CN=C5)=O)(C)O4)C)[H])=O)C CHEBI:132383 wilfordinine A CHEBI:132383 A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. CAS:262599-03-1 KNApSAcK:C00046977 chebi_ontology 821.777 C38H47NO19 GGYHKBFLZJPIPM-RBHPRBKBSA-N InChI=1S/C38H47NO19/c1-16-23-11-12-39-13-24(23)32(46)51-14-34(8)25-26(52-18(3)41)30(55-21(6)44)37(15-50-17(2)40)31(56-22(7)45)27(53-19(4)42)29(57-33(47)35(16,9)48)36(10,49)38(37,58-34)28(25)54-20(5)43/h11-13,16,25-31,48-49H,14-15H2,1-10H3/t16-,25-,26-,27+,28-,29+,30-,31+,34+,35-,36+,37-,38+/m1/s1 [C@@]1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C5=C([C@H]1C)C=CN=C5)=O)(C)O4)C)[H])=O)(C)O CHEBI:132384 wilfordinine B CHEBI:132384 A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. CAS:262599-04-2 KNApSAcK:C00046978 chebi_ontology 883.846 C43H49NO19 InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20-,29-,30-,31+,32-,33+,34-,35+,39+,40-,41+,42-,43+/m1/s1 XTKWHABDRIDBLJ-DWELFCMGSA-N [C@@]1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(C=5C=CC=CC5)=O)[C@H]2OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C([C@H]1C)C=CN=C6)=O)(C)O4)C)[H])=O)(C)O CHEBI:132385 wilfordinine C CHEBI:132385 A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and exhibits immunosuppressive and insecticidal properties. CAS:41758-69-4 KNApSAcK:C00013118 PMID:11738408 PMID:12579877 PMID:14738378 PMID:16933883 PMID:18998413 PMID:23852638 PMID:2618700 Patent:FR2728466 Patent:WO9113627 Reaxys:5418533 chebi_ontology (8alpha)-8-(Acetyloxy)-8-deoxoevonimine 805.777 C38H47NO18 Euonine InChI=1S/C38H47NO18/c1-17-12-13-25-24(11-10-14-39-25)34(47)50-15-35(8)26-27(51-19(3)41)31(54-22(6)44)37(16-49-18(2)40)32(55-23(7)45)28(52-20(4)42)30(56-33(17)46)36(9,48)38(37,57-35)29(26)53-21(5)43/h10-11,14,17,26-32,48H,12-13,15-16H2,1-9H3/t17-,26+,27+,28-,29+,30-,31+,32-,35-,36-,37+,38-/m0/s1 QIHHQEWWGMEJTH-VWEYKOQISA-N [C@@H]1([C@H]([C@@]2([C@@H](OC(=O)C)[C@H]([C@]3([C@](O)([C@]42[C@H](OC(=O)C)[C@]1([H])[C@@](COC(C5=C(CC[C@@H](C(O3)=O)C)N=CC=C5)=O)(C)O4)C)[H])OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O CHEBI:132386 wilformine CHEBI:132386 A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii. CAS:345954-00-9 KNApSAcK:C00046512 Reaxys:8821612 chebi_ontology 925.883 C45H51NO20 InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34-,35+,36-,37+,41?,42+,43+,44-,45+/m1/s1 YJDNHPICMWQYIV-UJSRMDARSA-N [C@@H]1([C@H]([C@@]2([C@@H](OC(=O)C)[C@H]([C@]3([C@](O)([C@]42[C@H](OC(=O)C)[C@]1([H])[C@@](COC(C5=C(CCC(C(O3)=O)(OC(C=6C=CC=CC6)=O)C)N=CC=C5)=O)(C)O4)C)[H])OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O CHEBI:132387 wilfornine A CHEBI:132387 A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum. CAS:259823-31-9 KNApSAcK:C00039395 Reaxys:8671241 chebi_ontology 930.904 BDKQPFFHSCFTQW-UWRKWEHLSA-N C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(=O)C=5C=CC=CC5)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=6C=NC=CC6)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C7=C(C1C)N=CC=C7)=O)(C)O4)C)[H])=O)C C47H50N2O18 InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3/t23?,24?,32-,34-,35+,36-,37+,38-,39+,44+,45+,46-,47+/m1/s1 hyponin D CHEBI:132388 hyponine D CHEBI:132388 A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum. CAS:226975-99-1 KNApSAcK:C00039396 chebi_ontology 7-(nicotinoyloxy)-O(5)-furanoyl-O(5)-deacetyl-7-deoxo-evonine 920.866 C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(=O)C=5OC=CC5)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C)=O)COC(=O)C)OC(=O)C)OC(C=6C=CC=NC6)=O)[C@@](COC(C7=C(C1C)N=CC=C7)=O)(C)O4)C)[H])=O)C C45H48N2O19 InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-12-9-15-46-18-27)30-34(64-41(55)29-14-11-17-57-29)45(44,43(35,8)56)66-42(30,7)19-59-40(54)28-13-10-16-47-31(21)28/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3/t21?,22?,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1 PMRSIAJYXABCTQ-IWYQQVOHSA-N hyponin E CHEBI:132389 hyponine E CHEBI:132389 A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum. CAS:259823-33-1 KNApSAcK:C00039397 Reaxys:8105536 chebi_ontology 7-(acetyloxy)-O(2)-furanoyl-O(2)-deacetyl-7-deoxo-evonine 857.809 ALJJHPQWUBVQNM-KSTPHJKESA-N C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(=O)C5=CC=CO5)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)N=CC=C6)=O)(C)O4)C)[H])=O)C C41H47NO19 InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(59-37(50)26-13-11-15-52-26)34(58-24(7)47)40(17-53-20(3)43)33(57-23(6)46)29(55-21(4)44)27-31(56-22(5)45)41(40,39(32,9)51)61-38(27,8)16-54-36(49)25-12-10-14-42-28(18)25/h10-15,18-19,27,29-34,51H,16-17H2,1-9H3/t18?,19?,27-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1 hyponin F CHEBI:132390 hyponine F CHEBI:132390 A sesquiterpene alkaloid that is isolated from Euonymus Sieboldiana. CAS:33510-25-7 Reaxys:5418062 chebi_ontology 763.740 C(=O)(C)OC[C@@]12[C@@H]([C@H](OC(C)=O)[C@@]3([C@@H](O)[C@@]42[C@@](O)([C@]([C@H](OC(C)=O)[C@@H]1OC(=O)C)(OC([C@H]([C@@H](C5=C(C=CC=N5)C(OC[C@]3(C)O4)=O)C)C)=O)[H])C)[H])OC(=O)C C36H45NO17 InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)23-27(43)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16-,23+,25+,26-,27+,28-,29+,30-,33-,34-,35+,36-/m0/s1 NKTOESKXBIEREY-CFCLDRGZSA-N CHEBI:132392 neoeuonymine CHEBI:132392 A sesquiterpene alkaloid that is isolated from Tripterygium forrestii, Platanus chiapensis and Maytenus chiapensis. CAS:146439-78-3 KNApSAcK:C00043510 PMID:11738408 PMID:14738378 Reaxys:8105266 chebi_ontology 867.847 C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=5C=CC=CC5)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)N=CC=C6)=O)(C)O4)C)[H])=O)C C43H49NO18 InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(60-38(51)27-14-11-10-12-15-27)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1 LBQLWUULERJYOL-PDVUZMAKSA-N CHEBI:132393 forrestine CHEBI:132393 A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum and Tripterygium wilfordii. PMID:10757718 PMID:23252270 Reaxys:8105598 chebi_ontology 883.846 C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C=5C=CC=CC5)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)C=CN=C6)=O)(C)O4)C)[H])=O)(O)C C43H49NO19 InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(59-24(5)48)42(19-55-21(2)45)35(60-25(6)49)31(61-36(50)26-13-11-10-12-14-26)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)58-23(4)47/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1 MOTYOVLJDKAHIA-SWFKUUAOSA-N CHEBI:132394 hypoglaunine C CHEBI:132394 A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii. PMID:17250858 Reaxys:7740635 chebi_ontology 867.847 C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(=O)C=5C=CC=CC5)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)C=CN=C6)=O)(C)O4)C)[H])=O)C C43H49NO18 InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)30-33(60-38(51)27-13-11-10-12-14-27)43(42,41(34,9)53)62-40(30,8)18-55-39(52)29-17-44-16-15-28(20)29/h10-17,20-21,30-36,53H,18-19H2,1-9H3/t20?,21?,30-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1 OSRVDUIIEIKWRP-QIMXLZNVSA-N cangorinine E-I CHEBI:132395 cangorinine E-1 CHEBI:132395 A sesquiterpene alkaloid that is isolated from the stem of Tripterygium regelii. PMID:27113553 Reaxys:22297507 (3R,5R,5aS,6S,9S,9aS,10R)-5,6-bis(benzoyloxy)-9-hydroxy-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepin-10-yl pyridine-3-carboxylate chebi_ontology 599.672 C35H37NO8 InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27-,28-,33+,34+,35+/m1/s1 MZSHQEJWMYSZEP-OYUJOXQTSA-N [C@]123[C@]([C@@H](C[C@]([C@H]1OC(C=4C=NC=CC4)=O)(C(O2)(C)C)[H])OC(C5=CC=CC=C5)=O)([C@H](CC[C@@]3(O)C)OC(C6=CC=CC=C6)=O)C CHEBI:132396 regelidine CHEBI:132396 A member of the class of hydroxypiperidines that is piperidine carrying a hydroxymethyl substituent at position 2 as well as two hydroxy substituents at positions 3 and 4 (the 2R,3R,4S-diastereomer). CAS:156639-77-9 KNApSAcK:C00049947 PMID:18323202 PMID:22207282 PMID:8050098 PMID:9157194 PMID:9544568 Reaxys:7072956 (2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol chebi_ontology 147.173 3-epifagomine C6H13NO3 InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1 YZNNBIPIQWYLDM-NGJCXOISSA-N [C@H]1([C@H]([C@H](CCN1)O)O)CO CHEBI:132399 3-epi-fagomine CHEBI:132399 A member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue. CAS:495-30-7 KNApSAcK:C00029680 PMID:15271422 PMID:23721280 PMID:26247834 PMID:26552172 PMID:26653144 PMID:26975106 PMID:27054911 Reaxys:98702 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside chebi_ontology (-)-Marmesinin (-)-marmesin beta-D-glucoside (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one 408.400 Ammijin C20H24O9 HXCGUCZXPFBNRD-NEDVQNLSSA-N InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14+,16-,17+,18-,19+/m1/s1 O1[C@@H](CC2=C1C=C3OC(=O)C=CC3=C2)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C CHEBI:132401 marmesinin CHEBI:132401 A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation. PMID:17238102 Pubchem:10017318 7-methoxy-6-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-one chebi_ontology 294.300 C15H18O6 C=1C(OC2=C(C1)C=C([C@@H](O)[C@H](O)C(O)(C)C)C(=C2)OC)=O InChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3/t13-,14+/m1/s1 PCSZTTAMZGNQNB-KGLIPLIRSA-N CHEBI:132402 angelitriol CHEBI:132402 A tetracyclic diterpenoid with fromula C20H22O5, originally isolated from the dried root outer bark of Tripterygium hypoglaucum. Pubchem:101936047 (3bR,9bS)-6,9-dihydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione chebi_ontology 342.386 3beta,14,19-trihydroxy-abieta-8,11,13-triene C20H22O5 InChI=1S/C20H22O5/c1-9(2)11-6-15(22)17-16(18(11)23)14(21)7-13-12-8-25-19(24)10(12)4-5-20(13,17)3/h6,9,13,22-23H,4-5,7-8H2,1-3H3/t13?,20-/m0/s1 O1C(C2=C(C1)C3[C@](CC2)(C4=C(C(=C(C=C4O)C(C)C)O)C(C3)=O)C)=O WEYINIKPYXLZCS-JDOQCHFPSA-N CHEBI:132482 triptobenzene K CHEBI:132482 An abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3, 11 and 14 respectively by oxo, hydroxy and methoxy groups. It is found in Tripterygium wilfordii and Tripterygium hypoglaucum. PMID:18554602 PMID:22256754 Reaxys:7386633 11-hydroxy-14-methoxyabieta-8(14),9(11),12-trien-3-one chebi_ontology 11-hydroxy-14-methoxyabieta-8,11,13-trien-3-one 330.462 C21H30O3 InChI=1S/C21H30O3/c1-12(2)14-11-15(22)18-13(19(14)24-6)7-8-16-20(3,4)17(23)9-10-21(16,18)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21-/m0/s1 O=C1C([C@]2([C@](CC1)(C=3C(CC2)=C(OC)C(=CC3O)C(C)C)C)[H])(C)C SPNKZMRXBVCONG-KKSFZXQISA-N CHEBI:132483 triptonoterpene methyl ether CHEBI:132483 https://pubchem.ncbi.nlm.nih.gov/compound/101335371 Pubchem:101335371 chebi_ontology CHEBI:132512 wilforidine CHEBI:132512 https://pubchem.ncbi.nlm.nih.gov/compound/15346742 Pubchem:15346742 chebi_ontology CHEBI:132513 celafurine CHEBI:132513 An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of beta-galactosidase (EC 3.2.1.23). chebi_ontology EC 3.2.1.23 (beta-galactosidase) inhibitors EC 3.2.1.23 inhibitor EC 3.2.1.23 inhibitors S 2107 inhibitor S 2107 inhibitors beta-D-galactanase inhibitor beta-D-galactanase inhibitors beta-D-galactoside galactohydrolase inhibitor beta-D-galactoside galactohydrolase inhibitors beta-D-lactosidase inhibitor beta-D-lactosidase inhibitors beta-lactosidase inhibitor beta-lactosidase inhibitors exo-(1->4)-beta-D-galactanase inhibitor exo-(1->4)-beta-D-galactanase inhibitors hydrolact inhibitor hydrolact inhibitors lactase inhibitor lactase inhibitors lactozym inhibitor lactozym inhibitors maxilact inhibitor maxilact inhibitors oryzatym inhibitor oryzatym inhibitors sumiklat inhibitor sumiklat inhibitors trilactase inhibitor trilactase inhibitors CHEBI:132518 EC 3.2.1.23 (beta-galactosidase) inhibitor CHEBI:132518 https://pubchem.ncbi.nlm.nih.gov/compound/159330 Pubchem:159330 chebi_ontology CHEBI:132613 triptonoterpenol CHEBI:132613 https://pubchem.ncbi.nlm.nih.gov/compound/100929735 Pubchem:100929735 chebi_ontology CHEBI:132614 triptohairic acid CHEBI:132614 https://pubchem.ncbi.nlm.nih.gov/compound/20056194#section=Top Pubchem:20056194 chebi_ontology CHEMBL515079 CHEBI:132615 orthosphenic acid CHEBI:132615 https://pubchem.ncbi.nlm.nih.gov/compound/195563 Pubchem:195563 chebi_ontology (3|A,5xi,18|A,22|A)-3,22-dihydroxyolean-12-en-30-oic acid CHEBI:132616 triptotriterpenic acid B CHEBI:132616 https://pubchem.ncbi.nlm.nih.gov/compound/130072 Pubchem:130072 chebi_ontology CHEBI:132617 triptotriterpenic acid C CHEBI:132617 https://pubchem.ncbi.nlm.nih.gov/compound/192337 Pubchem:192337 chebi_ontology (5xi,18|A,22|A)-22-hydroxy-3-oxoolean-12-en-30-oic acid CHEBI:132618 triptotritepenonic acid A CHEBI:132618 https://pubchem.ncbi.nlm.nih.gov/compound/163808 Pubchem:163808 chebi_ontology CHEBI:132619 regelin CHEBI:132619 A sterol that is cholestanol in which the hydrogen at the 6alpha position has been replaced by a hydroxy group. LIPID_MAPS_instance:LMST01010135 Reaxys:3211240 (5alpha)-cholestane-3beta,6alpha-diol 6alpha-hydroxycholestanol chebi_ontology (3beta,5alpha,6alpha)-cholestane-3,6-diol 404.670 C27H48O2 InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1 PMWTYEQRXYIMND-XNZKQLDXSA-N [C@]12([C@]([C@]3([C@](CC1)([C@@]4([C@](C[C@H](CC4)O)([C@H](C3)O)[H])C)[H])[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C cholestan-3beta,6alpha-diol CHEBI:132620 6alpha-hydroxycholestanol CHEBI:132620 https://pubchem.ncbi.nlm.nih.gov/compound/126556 Pubchem:126556 chebi_ontology CHEBI:132621 16-hydroxytriptolide CHEBI:132621 https://pubchem.ncbi.nlm.nih.gov/compound/156286 Pubchem:156286 chebi_ontology 74311-48-1 CHEBI:132622 triptophenolide methyl ether CHEBI:132622 https://pubchem.ncbi.nlm.nih.gov/compound/26305 Pubchem:26305 chebi_ontology CHEBI:132623 nodakenetin CHEBI:132623 https://pubchem.ncbi.nlm.nih.gov/compound/6436246 Pubchem:6436246 chebi_ontology CHEBI:132624 Columbianadin CHEBI:132624 https://pubchem.ncbi.nlm.nih.gov/compound/10659145#section=Top Pubchem:10659145 chebi_ontology 2-deoxymeranzin hydrate CHEBI:132625 CHEMBL299099 CHEBI:132625 https://pubchem.ncbi.nlm.nih.gov/compound/161409 Pubchem:161409 chebi_ontology CHEBI:132626 columbianetin acetate CHEBI:132626 https://pubchem.ncbi.nlm.nih.gov/compound/51520704#section=Top Pubchem:51520704 chebi_ontology CHEBI:132627 (+)-Angenomalin CHEBI:132627 https://pubchem.ncbi.nlm.nih.gov/compound/11452543 Pubchem:11452543 chebi_ontology CHEBI:132628 isotalatizidine CHEBI:132628 https://pubchem.ncbi.nlm.nih.gov/compound/120682 Pubchem:120682 chebi_ontology CHEBI:132629 neoline CHEBI:132629 https://pubchem.ncbi.nlm.nih.gov/compound/24832657 Pubchem:24832657 chebi_ontology CHEBI:132630 benzoylmesaconine CHEBI:132630 https://pubchem.ncbi.nlm.nih.gov/compound/100930481 Pubchem:100930481 chebi_ontology CHEBI:132631 senbusine A CHEBI:132631 https://pubchem.ncbi.nlm.nih.gov/compound/102375480 Pubchem:102375480 chebi_ontology CHEBI:132632 hukbusine A CHEBI:132632 https://pubchem.ncbi.nlm.nih.gov/compound/78358486 Pubchem:78358486 chebi_ontology CHEBI:132633 benzoylaconine CHEBI:132633 https://pubchem.ncbi.nlm.nih.gov/compound/78358526 Pubchem:78358526 chebi_ontology CHEBI:132634 benzoylhypaconine CHEBI:132634 https://pubchem.ncbi.nlm.nih.gov/compound/78358553 Pubchem:78358553 chebi_ontology CHEBI:132635 neojiangyouaconitine CHEBI:132635 https://pubchem.ncbi.nlm.nih.gov/compound/6426870 Pubchem:6426870 chebi_ontology CHEBI:132636 deoxyaconitine CHEBI:132636 https://pubchem.ncbi.nlm.nih.gov/compound/92044468 Pubchem:92044468 chebi_ontology CHEBI:132637 foresaconitine CHEBI:132637 https://pubchem.ncbi.nlm.nih.gov/compound/157539 Pubchem:157539 chebi_ontology CHEBI:132638 crassicauline A CHEBI:132638 https://pubchem.ncbi.nlm.nih.gov/compound/20054813 Pubchem:20054813 chebi_ontology CHEBI:132639 aconine CHEBI:132639 https://pubchem.ncbi.nlm.nih.gov/compound/11250863 Pubchem:11250863 chebi_ontology CHEBI:132640 yunaconitine CHEBI:132640 https://pubchem.ncbi.nlm.nih.gov/compound/20055812 Pubchem:20055812 chebi_ontology CHEBI:132641 chasmanine CHEBI:132641 https://pubchem.ncbi.nlm.nih.gov/compound/185130 Pubchem:185130 chebi_ontology CHEBI:132642 foresticine CHEBI:132642 https://pubchem.ncbi.nlm.nih.gov/compound/101552717 Pubchem:101552717 chebi_ontology CHEBI:132643 N-deethylaconine CHEBI:132643 https://pubchem.ncbi.nlm.nih.gov/compound/101671038 Pubchem:101671038 chebi_ontology CHEBI:132644 hypaconine CHEBI:132644 https://pubchem.ncbi.nlm.nih.gov/compound/101671037 Pubchem:101671037 chebi_ontology CHEBI:132645 mesaconine CHEBI:132645 https://pubchem.ncbi.nlm.nih.gov/compound/6708531 Pubchem:6708531 chebi_ontology CHEBI:132646 oxonitine CHEBI:132646 https://pubchem.ncbi.nlm.nih.gov/compound/9819306 Pubchem:9819306 chebi_ontology CHEBI:132647 futoenone CHEBI:132647 https://pubchem.ncbi.nlm.nih.gov/compound/101749 Pubchem:101749 chebi_ontology CHEBI:132648 galgravin CHEBI:132648 https://pubchem.ncbi.nlm.nih.gov/compound/6441048 Pubchem:6441048 chebi_ontology CHEBI:132649 Acuminatin CHEBI:132649 https://pubchem.ncbi.nlm.nih.gov/compound/100199 Pubchem:100199 chebi_ontology CHEBI:132650 burchellin CHEBI:132650 https://pubchem.ncbi.nlm.nih.gov/compound/45487142 Pubchem:45487142 chebi_ontology CHEBI:132651 kadsurenin C CHEBI:132651 https://pubchem.ncbi.nlm.nih.gov/compound/3083438 Pubchem:3083438 chebi_ontology CHEBI:132652 kadsurenin K CHEBI:132652 https://pubchem.ncbi.nlm.nih.gov/compound/3083437 Pubchem:3083437 chebi_ontology CHEBI:132653 kaadsurenin L CHEBI:132653 https://pubchem.ncbi.nlm.nih.gov/compound/208856 Pubchem:208856 chebi_ontology CHEBI:132654 kadsurenin M CHEBI:132654 https://pubchem.ncbi.nlm.nih.gov/compound/11230 Pubchem:11230 chebi_ontology CHEBI:132655 Terpinen-4-ol CHEBI:132655 https://pubchem.ncbi.nlm.nih.gov/compound/6432312 Pubchem:6432312 chebi_ontology CHEBI:132656 gamma-Elemene CHEBI:132656 https://pubchem.ncbi.nlm.nih.gov/compound/622222 Pubchem:622222 chebi_ontology CHEBI:132657 piperlactam S CHEBI:132657 https://pubchem.ncbi.nlm.nih.gov/compound/9922008 Pubchem:9922008 chebi_ontology CHEBI:132658 pipataline CHEBI:132658 https://pubchem.ncbi.nlm.nih.gov/compound/11024113 Pubchem:11024113 chebi_ontology CHEBI:132659 isostrychnine CHEBI:132659 https://pubchem.ncbi.nlm.nih.gov/compound/3081763 Pubchem:3081763 chebi_ontology CHEBI:132660 isobrucine CHEBI:132660 https://pubchem.ncbi.nlm.nih.gov/compound/15631900 Pubchem:15631900 chebi_ontology CHEBI:132661 Isostrychnine N-oxide CHEBI:132661 https://pubchem.ncbi.nlm.nih.gov/compound/101532797 Pubchem:101532797 chebi_ontology CHEBI:132662 Isobrucine N-oxide CHEBI:132662 https://pubchem.ncbi.nlm.nih.gov/compound/101282059 Pubchem:101282059 chebi_ontology CHEBI:132663 protostrychnine CHEBI:132663 https://pubchem.ncbi.nlm.nih.gov/compound/101575887 Pubchem:101575887 chebi_ontology CHEBI:132664 isopseudostrychnine CHEBI:132664 https://pubchem.ncbi.nlm.nih.gov/compound/101575886 Pubchem:101575886 chebi_ontology CHEBI:132665 Stryvomitine CHEBI:132665 https://pubchem.ncbi.nlm.nih.gov/compound/21723446 Pubchem:21723446 chebi_ontology CHEBI:132666 pseudostrychnine CHEBI:132666 https://pubchem.ncbi.nlm.nih.gov/compound/3083630 Pubchem:3083630 chebi_ontology CHEBI:132667 pseudobrucine CHEBI:132667 https://pubchem.ncbi.nlm.nih.gov/compound/3083907 Pubchem:3083907 chebi_ontology CHEBI:132668 icajine CHEBI:132668 https://pubchem.ncbi.nlm.nih.gov/compound/10365034 Pubchem:10365034 chebi_ontology CHEBI:132669 novacine CHEBI:132669 https://pubchem.ncbi.nlm.nih.gov/compound/210990 Pubchem:210990 chebi_ontology CHEBI:132670 14-hydroxyicajine CHEBI:132670 A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 3 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica. CAS:509-44-4 KNApSAcK:C00025153 Reaxys:57558 3-methoxystrychnidin-10-one chebi_ontology 3-methoxystrychnine 364.438 C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] C22H24N2O3 CAPUGADOGHKUQS-JPPAUQSISA-N InChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1 CHEBI:132696 alpha-colubrine CHEBI:132696 A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 2 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica. CAS:509-36-4 KNApSAcK:C00025155 PMID:19235686 PMID:7912074 Reaxys:58916 2-methoxystrychnidin-10-one chebi_ontology 2-methoxystrychnine 364.438 C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC(=CC6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] C22H24N2O3 InChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1 ZTHVHELPCLGXHF-JPPAUQSISA-N CHEBI:132697 beta-colubrine CHEBI:132697 https://pubchem.ncbi.nlm.nih.gov/compound/57412271 PDBeChem:57412271 chebi_ontology CHEBI:132699 10-Hydroxylicajine CHEBI:132699 https://pubchem.ncbi.nlm.nih.gov/compound/57412270 Pubchem:57412270 chebi_ontology CHEBI:132700 11-Hydroxylicajine CHEBI:132700 https://pubchem.ncbi.nlm.nih.gov/compound/101575888 Pubchem:101575888 chebi_ontology CHEBI:132702 5-Hydroxylvomicine CHEBI:132702 An N-oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine. CAS:7248-28-4 PMID:12560037 PMID:13970484 PMID:19235686 PMID:22417832 PMID:25443369 PMID:26578094 PMID:26625339 PMID:27125604 PMID:2867877 PMID:5764883 PMID:7912074 PMID:8103941 Pubchem:73393 Reaxys:57208 (1S,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0(1,18).0(2,7).0(8,22).0(11,21).0(15,20)]tetracosa-2,4,6,14-tetraen-9-one 17-oxide chebi_ontology 350.412 ADTDBAKUQAKBGZ-VXJIXCKJSA-N C1[C@@]2([N+]3(CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[O-])[H] C21H22N2O3 InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1 N-oxystrychnine genostrychnine strychnidin-10-one, 19-oxide strychnine 19-oxide strychnine N(6)-oxide strychnine-N-oxide CHEBI:132703 strychnine N-oxide CHEBI:132703 https://pubchem.ncbi.nlm.nih.gov/compound/21680050 Pubchem:21680050 chebi_ontology CHEBI:132705 2-Hydroxy-3-methoxystrychnine CHEBI:132705 https://pubchem.ncbi.nlm.nih.gov/compound/57412268 Pubchem:57412268 chebi_ontology CHEBI:132707 5-Oxobrucine CHEBI:132707 https://pubchem.ncbi.nlm.nih.gov/compound/91727262 Pubchem:91727262 chebi_ontology CHEBI:132709 loganoside CHEBI:132709 https://pubchem.ncbi.nlm.nih.gov/compound/162868 Pubchem:162868 chebi_ontology CHEBI:132712 Secoxyloganin CHEBI:132712 An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol. CAS:102-37-4 PMID:16041399 PMID:19813225 PMID:23050660 PMID:24892518 PMID:7334427 Pubchem:5317238 Reaxys:2106401 Wikipedia:Ethyl_caffeate ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate chebi_ontology (E)-ethyl 3,4-dihydroxycinnamate (E)-ethyl 3-(3,4-dihydroxyphenyl)acrylate (E)-ethyl caffeate 208.211 C11H12O4 C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ WDKYDMULARNCIS-GQCTYLIASA-N ethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate ethyl 3,4-dihydroxycinnamate ethyl caffeate CHEBI:132714 ethyl trans-caffeate CHEBI:132714 https://pubchem.ncbi.nlm.nih.gov/compound/98455 KNApSAcK:C00025272 PDBeChem:98455 chebi_ontology CHEBI:132715 stepharine CHEBI:132715 https://pubchem.ncbi.nlm.nih.gov/compound/10358881 Pubchem:10358881 chebi_ontology CHEBI:132718 stepharanine CHEBI:132718 https://pubchem.ncbi.nlm.nih.gov/compound/137399 Pubchem:137399 chebi_ontology 4,5,6,9-Tetramethoxy-7H-dibenzo(de,h)quinolin-7-one CHEBI:132719 bianfugenine CHEBI:132719 https://pubchem.ncbi.nlm.nih.gov/compound/11759516 Pubchem:11759516 chebi_ontology CHEBI:132720 sinomendine CHEBI:132720 https://pubchem.ncbi.nlm.nih.gov/compound/100067 Pubchem:100067 chebi_ontology 4,4'-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol) CHEBI:132721 dl-syrngaresinol CHEBI:132721 https://pubchem.ncbi.nlm.nih.gov/compound/133475 Pubchem:133475 chebi_ontology CHEBI:132788 paeoninorigenone CHEBI:132788 https://pubchem.ncbi.nlm.nih.gov/compound/21631105 PDBeChem:21631105 chebi_ontology CHEBI:132789 Oxypaeoniflorin CHEBI:132789 https://pubchem.ncbi.nlm.nih.gov/compound/46883189 Pubchem:46883189 chebi_ontology CHEBI:132790 alpha-benzoyloxypaeoniflorin CHEBI:132790 https://pubchem.ncbi.nlm.nih.gov/compound/46883190 Pubchem:46883190 chebi_ontology CHEBI:132791 beta-benzoyloxypaeoniflorin CHEBI:132791 https://pubchem.ncbi.nlm.nih.gov/compound/14605198 Pubchem:14605198 chebi_ontology CHEBI:132792 (+)-Lactiflorin CHEBI:132792 https://pubchem.ncbi.nlm.nih.gov/compound/24868421 Pubchem:24868421 chebi_ontology CHEBI:132793 albiforin CHEBI:132793 https://pubchem.ncbi.nlm.nih.gov/compound/3036428#section=Top Pubchem:3036428 chebi_ontology CHEBI:132794 Pinen-10-yl vicianoside CHEBI:132794 https://pubchem.ncbi.nlm.nih.gov/compound/14336593 PDBeChem:14336593 chebi_ontology CHEBI:132795 Lactinolide CHEBI:132795 A cyclic monoterpene ketone that is bicyclo[3.1.1]heptan-2-one which is substituted at positions 4, 6, and 6 by hydroxymethyl, methyl, and methyl groups (the 1R,4S,5R stereoisomer). It has been found in Japanese Paeoniae Radix, which has been used in various Chinese medicinal preparations as an anodyne, sedative, antispasmodic, and astringent. PMID:27313650 PMID:8814958 Pubchem:68588302 (1R,4S,5R)-4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-one chebi_ontology 168.233 C10H16O2 CC1(C)[C@]2([C@](CC([C@@]1(C2)[H])=O)(CO)[H])[H] InChI=1S/C10H16O2/c1-10(2)7-4-8(10)9(12)3-6(7)5-11/h6-8,11H,3-5H2,1-2H3/t6-,7-,8+/m1/s1 ZRBRUAVSMJRQMW-PRJMDXOYSA-N CHEBI:132796 paeonilactinone CHEBI:132796 https://pubchem.ncbi.nlm.nih.gov/compound/21575212 PDBeChem:21575212 chebi_ontology CHEBI:132815 6'-O-Acetylpaeoniflorin CHEBI:132815 https://pubchem.ncbi.nlm.nih.gov/compound/102516500 Pubchem:102516500 chebi_ontology CHEBI:132816 6'-O-Galloylalbiflorin CHEBI:132816 https://pubchem.ncbi.nlm.nih.gov/compound/101382399 Pubchem:101382399 chebi_ontology CHEBI:132817 Paeoniflorin Sulfonate CHEBI:132817 https://pubchem.ncbi.nlm.nih.gov/compound/23259303 Pubchem:23259303 chebi_ontology CHEBI:132819 Trachelosperogenin B CHEBI:132819 https://pubchem.ncbi.nlm.nih.gov/compound/486612 Pubchem:486612 chebi_ontology CHEBI:132820 Matairesinoside CHEBI:132820 https://pubchem.ncbi.nlm.nih.gov/compound/637584 PDBeChem:637584 chebi_ontology CHEBI:132821 Epipinoresinol CHEBI:132821 https://pubchem.ncbi.nlm.nih.gov/compound/102275941 Pubchem:102275941 chebi_ontology CHEBI:132822 Salicifoliol CHEBI:132822 https://pubchem.ncbi.nlm.nih.gov/compound/457801 Pesticides:457801 chebi_ontology CHEBI:132823 Clionasterol CHEBI:132823 https://pubchem.ncbi.nlm.nih.gov/compound/522266 PDBeChem:522266 chebi_ontology CHEBI:132824 Spathulenol CHEBI:132824 https://pubchem.ncbi.nlm.nih.gov/compound/10347702 Pubchem:10347702 chebi_ontology CHEBI:132825 Aristoloterpenate-I CHEBI:132825 https://pubchem.ncbi.nlm.nih.gov/compound/6438997 Pubchem:6438997 chebi_ontology CHEBI:132826 Versicolactone B CHEBI:132826 https://pubchem.ncbi.nlm.nih.gov/compound/93073 Pubchem:93073 chebi_ontology CHEBI:132827 Camphenilone CHEBI:132827 https://pubchem.ncbi.nlm.nih.gov/compound/23623868 Pubchem:23623868 chebi_ontology Bornyl formate CHEBI:132828 Isobornyl Formate CHEBI:132828 https://pubchem.ncbi.nlm.nih.gov/compound/91691738 Pubchem:91691738 chebi_ontology terpiryl acetate CHEBI:132829 delta-Terpineolacetate CHEBI:132829 https://pubchem.ncbi.nlm.nih.gov/compound/12309449 chebi_ontology CHEBI:132830 delta-Elemene CHEBI:132830 https://pubchem.ncbi.nlm.nih.gov/compound/101596917 chebi_ontology CHEBI:132831 beta-Maaliene CHEBI:132831 https://pubchem.ncbi.nlm.nih.gov/compound/15560275 chebi_ontology CHEBI:132832 gurjunele CHEBI:132832 https://pubchem.ncbi.nlm.nih.gov/compound/1203 chebi_ontology DL-Catechin CHEBI:132833 L-Epicatechin CHEBI:132833 A dihydroxyflavanone that is naringenin in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucuronosyl residue. HMDB:HMDB29209 Reaxys:10398829 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid chebi_ontology 448.378 BDCRTIDKZGEVEN-DNPGXZAYSA-N C21H20O11 InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1 O1[C@H](C(O)=O)[C@H]([C@H](O)[C@H]([C@@H]1OC=2C=C(C3=C(OC(CC3=O)C=4C=CC(=CC4)O)C2)O)O)O naringenin-7-O-glucuronide CHEBI:132835 naringenin 7-O-beta-D-glucuronide CHEBI:132835 A heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer). CAS:4313-03-5 LIPID_MAPS_instance:LMFA06000024 PMID:23790924 PMID:26040727 Reaxys:1699244 (2E,4E)-hepta-2,4-dienal chebi_ontology (2E,4E)-2,4-heptadienal (E,E)-2,4-Heptadien-1-al (E,E)-2,4-heptadienal 110.154 2,4-heptadienal C7H10O CC/C=C/C=C/C(=O)[H] InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+ SATICYYAWWYRAM-VNKDHWASSA-N trans,trans-2,4-Heptadienal trans,trans-Hepta-2,4-dienal CHEBI:132837 (E,E)-hepta-2,4-dienal CHEBI:132837 A 3-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 3 is replaced by a hydroxy group. HMDB:HMDB61653 Reaxys:1755590 3-hydroxyheptanoic acid chebi_ontology 146.185 C(C(O)=O)C(CCCC)O C7H14O3 InChI=1S/C7H14O3/c1-2-3-4-6(8)5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10) OXSSIXNFGTZQMZ-UHFFFAOYSA-N CHEBI:132838 3-hydroxyheptanoic acid CHEBI:132838 A monoterpenoid that is 2-(2-hydroxypropan-2-yl)oxolane carying additional methyl and vinyl substituents both located at position 5 (the 2R,5S-diastereomer). Reaxys:1423560 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol chebi_ontology 170.249 BRHDDEIRQPDPMG-PSASIEDQSA-N C([C@@H]1O[C@@](CC1)(C=C)C)(O)(C)C C10H18O2 InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1 cis-linalyl oxide CHEBI:132839 (2R,5S)-linalyl oxide CHEBI:132839 A 2-undecenal in which the C=C bond has E configuration. CAS:53448-07-0 HMDB:HMDB40247 LIPID_MAPS_instance:LMFA06000065 PMID:12848511 PMID:20164502 PMID:22224661 PMID:24601090 PMID:25340465 Reaxys:1906352 (2E)-undec-2-enal chebi_ontology (2E)-2-undecenal (E)-undec-2-enal 168.276 2-undecenal C(CCCCCCC)/C=C/C=O C11H20O InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ PANBRUWVURLWGY-MDZDMXLPSA-N trans-2-undecenal trans-undec-2-enal CHEBI:132843 (E)-2-undecenal CHEBI:132843 https://pubchem.ncbi.nlm.nih.gov/compound/7837 chebi_ontology CHEBI:132844 GLYCIDYL METHACRYLATE CHEBI:132844 A carbonate ester that is dimethyl carbonate in which one of the methyl groups has been replaced by a (Z)-hex-3-en-1-yl group. It has a floral scent and is used in the production of fruit or vegetable-like flavour additives. CAS:67633-96-9 Reaxys:11333065 (3Z)-hex-3-en-1-yl methyl carbonate chebi_ontology 158.195 BLOXMGXSDAAJGX-PLNGDYQASA-N C8H14O3 CC/C=C\CCOC(OC)=O InChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4- cis-3-hexenyl methyl carbonate cis-hex-3-en-1-yl methyl carbonate CHEBI:132845 (Z)-hex-3-en-1-yl methyl carbonate CHEBI:132845 https://pubchem.ncbi.nlm.nih.gov/compound/522552 chebi_ontology CHEBI:132846 8-Methyl-1-undecene CHEBI:132846 https://pubchem.ncbi.nlm.nih.gov/compound/21671 chebi_ontology CHEBI:132847 1-p-Menthene CHEBI:132847 https://pubchem.ncbi.nlm.nih.gov/compound/522514 chebi_ontology CHEBI:132848 Linaloyl Oxide CHEBI:132848 https://pubchem.ncbi.nlm.nih.gov/compound/69527 chebi_ontology CHEBI:132849 Lauric Anhydride CHEBI:132849 A secoiridoid glycoside that is (4aS,5R,6R)-6-hydroxy-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one in which the hydroxy group has been converted to the corresponding 2,3,6-tri-O-acetyl-beta-D-glucoside, the 4-hydroxy group of which has been esterified by formal condensation with the carboxy group of 2,3-dihydroxybenzoic acid 3-beta-D-glucoside. It is a component of Gentiana scabra root extract, which is used as an internal remedy in traditional Korean medicine for the treatment of diabetes mellitus. CAS:53823-10-2 KNApSAcK:C00010796 PMCID:PMC4131568 PMID:12822897 PMID:17221438 PMID:17404979 PMID:23599008 PMID:26129938 PMID:9396170 PMID:9397205 PMID:9611826 Reaxys:7970578 (4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,6-tri-O-acetyl-4-O-[3-(beta-D-glucopyranosyloxy)-2-hydroxybenzoyl]-beta-D-glucopyranoside chebi_ontology 782.697 C35H42O20 InChI=1S/C35H42O20/c1-5-17-18-9-10-46-31(44)20(18)12-48-33(17)55-35-30(50-16(4)39)29(49-15(3)38)28(23(53-35)13-47-14(2)37)54-32(45)19-7-6-8-21(24(19)40)51-34-27(43)26(42)25(41)22(11-36)52-34/h5-8,12,17-18,22-23,25-30,33-36,40-43H,1,9-11,13H2,2-4H3/t17-,18+,22-,23-,25-,26+,27-,28-,29+,30-,33+,34-,35+/m1/s1 O1[C@@H](O[C@@H]2OC=C3[C@]([C@H]2C=C)(CCOC3=O)[H])[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C4=C(O)C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)=CC=C4)[C@H]1COC(=O)C RMBMLYUFYBZPCX-XQARLGSBSA-N CHEBI:132850 trifloroside CHEBI:132850 https://pubchem.ncbi.nlm.nih.gov/compound/12315005 chebi_ontology CHEBI:132851 Roburic Acid CHEBI:132851 A member of the class of pterocarpans that is (6aR,11aR)-3,9-dihydroxypterocarpan in which the hydrogen at position 8 has been replaced by a methoxy group. Reaxys:5595634 Wikipedia:Kushenin (6aR,11aR)-8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol lespedezol D1 chebi_ontology 286.280 C12=CC(=C(C=C1O[C@@]3([C@]2(COC4=C3C=CC(=C4)O)[H])[H])O)OC C16H14O5 InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1 NYGZYUAVZPIKBZ-ZBEGNZNMSA-N kushenin CHEBI:132852 lespedezol D1 CHEBI:132852 A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. CHEBI:9953 CAS:61276-17-3 HMDB:HMDB34843 KEGG:C10501 KNApSAcK:C00002783 PMID:10432210 PMID:25628651 PMID:25900014 PMID:25900087 PMID:26427909 PMID:26453510 PMID:26700563 PMID:26827721 PMID:26856531 PMID:26981096 PMID:26990576 PMID:27096224 PMID:27125592 PMID:27191581 PMID:27223850 PMID:27326537 PMID:27428333 Reaxys:1278646 Wikipedia:Verbascoside 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside chebi_ontology 2-(3,4-dihydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside 624.588 C29H36O15 FBSKJMQYURKNSU-ZLSOWSIRSA-N InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1OC(/C=C/C=2C=CC(=C(C2)O)O)=O)CO)OCCC=3C=C(C(=CC3)O)O)O)O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C kusaginin verbascoside CHEBI:132853 acteoside CHEBI:132853 A hydroxy monounsaturated fatty acid that is undec-10-enoic acid which is substituted by a hydroxy group at position 9. It has been isolated from the leaves of Corchorus olitorius, also known as the medicinal foodstuff moroheiya. Reaxys:1774484 chebi_ontology 200.275 C(CCCCCCCC(C=C)O)(O)=O C11H20O3 CJUFNYIRKDOQMC-UHFFFAOYSA-N InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14) corchorifatty acid E CHEBI:132854 9-hydroxyundec-10-enoic acid CHEBI:132854 https://pubchem.ncbi.nlm.nih.gov/compound/42608078 chebi_ontology CHEBI:132856 Viscumneoside I CHEBI:132856 https://pubchem.ncbi.nlm.nih.gov/compound/195287 chebi_ontology CHEBI:132857 Viscumneoside III CHEBI:132857 https://pubchem.ncbi.nlm.nih.gov/compound/5492426 chebi_ontology CHEBI:132858 Viscumneoside IV CHEBI:132858 https://pubchem.ncbi.nlm.nih.gov/compound/195288 chebi_ontology CHEBI:132859 Viscumneoside V CHEBI:132859 https://pubchem.ncbi.nlm.nih.gov/compound/3082946 chebi_ontology CHEBI:132860 Viscumneoside VI CHEBI:132860 https://pubchem.ncbi.nlm.nih.gov/compound/5748462 chebi_ontology CHEBI:132861 Viscumneoside VII CHEBI:132861 A sesquiterpene lactone containing two epoxide groups and two tertiary hydroxy groups that has been isolated from the roots of Coriaria nepalensis. PMID:12016873 PMID:24467533 (1S,2R,3S,5R,6R,7R,9S,12S)-2-hydroxy-12-(2-hydroxypropan-2-yl)-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.0(2,7).0(3,5)]dodecane-6,2'-oxiran]-11-one chebi_ontology 296.316 C15H20O6 InChI=1S/C15H20O6/c1-12(2,17)7-6-4-13(3)14(5-19-14)9-10(21-9)15(13,18)8(7)11(16)20-6/h6-10,17-18H,4-5H2,1-3H3/t6-,7+,8+,9+,10-,13-,14+,15-/m0/s1 LGZSARJAXHVXEV-YEJVQPDVSA-N [C@@]12([C@]([C@]3(C(O[C@@](C1)([C@]3(C(O)(C)C)[H])[H])=O)[H])([C@@H]4[C@H]([C@@]25OC5)O4)O)C CHEBI:132863 coriatin CHEBI:132863 https://pubchem.ncbi.nlm.nih.gov/compound/10880921 chebi_ontology CHEBI:132864 Corianin CHEBI:132864 https://pubchem.ncbi.nlm.nih.gov/compound/73062 chebi_ontology CHEBI:132865 Kaurenoic Acid CHEBI:132865 https://pubchem.ncbi.nlm.nih.gov/compound/122618 chebi_ontology CHEBI:132866 Deoxyfuconojirimycin CHEBI:132866 https://pubchem.ncbi.nlm.nih.gov/compound/29435 chebi_ontology CHEBI:132867 1-DEOXYNOJIRIMYCIN CHEBI:132867 An extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 muM), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. CAS:62596-34-3 PMID:12648543 PMID:12662107 PMID:15884809 PMID:15885940 PMID:17396934 PMID:17405024 PMID:18330242 PMID:18608767 PMID:19149258 PMID:21434689 PMID:22145117 PMID:24381530 PMID:24494557 PMID:25981820 PMID:7903365 PMID:8435100 Reaxys:1442991 6,11-dihydroxy-3,3-dimethyl-8-(2-methylprop-1-en-1-yl)-3H,7H,8H-chromeno[4,3-b]pyrano[2,3-h]chromen-7-one chebi_ontology 418.440 C25H22O6 GDQXJMLXEYSICD-UHFFFAOYSA-N InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3 O1C=2C3=C(OC(C=C3)(C)C)C=C(O)C2C(=O)C=4C(OC5=C(C14)C=CC(O)=C5)C=C(C)C cyclomorusin CHEBI:132868 cyclomorusin A CHEBI:132868 A extended flavonoid that is 6H,7H-chromeno[4,3-b]chromen-7-one which is substituted by a 2-methylprop-1-en-1-yl group at position 6, a 3-methylbut-2-en-1-yl group at position 11, and hydroxy groups at positions 3, 8, and 10. It is found in the bark of Morus species and has been reported to protect human neuronal cells derived from the human neuroblastoma SH-SY5Y cell line. CAS:19275-51-5 HMDB:HMDB30688 KNApSAcK:C00004061 PMID:19149258 PMID:20815207 PMID:22297755 PMID:7903365 PMID:8435100 Reaxys:1631347 3,8,10-trihydroxy-11-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H-chromeno[4,3-b]chromen-7-one chebi_ontology 420.455 C25H24O6 CC(C)=CCC=1C(=CC(=C2C(C=3C(C=C(C)C)OC=4C=C(C=CC4C3OC12)O)=O)O)O InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3 SYFDWXWLRGHYAJ-UHFFFAOYSA-N CHEBI:132869 cyclomulberrin CHEBI:132869 An organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol which is substituted by methyl groups at positions 5 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2S,5R,6R,7R,8R (as shown), or the enantiomer. KNApSAcK:C00033918 Reaxys:5426860 rel-(1R,2S,5R,6R,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol chebi_ontology 254.366 C15H26O3 DHUDRGOPTAAHRB-ARSDKDGVSA-N InChI=1S/C15H26O3/c1-9(2)10-5-6-13(3)11(10)12-14(4,16)7-8-15(13,17)18-12/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m1/s1 [C@@]12([C@](CC[C@]([C@@]3([C@]1([C@](CC3)(C(C)C)[H])[H])C)(O2)O)(C)O)[H] homalomenol C CHEBI:132870 (-)-homalomenol C CHEBI:132870 An organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol which is substituted by methyl groups at positions 2 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2R,5S,6S,7R,8R (as shown), or the enantiomer. Reaxys:5425478 rel-(1R,2R,5S,6S,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol chebi_ontology 238.366 C15H26O2 InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1 YEBFCABPNPSILV-RUDNTAQLSA-N [C@@]12([C@](CC[C@]([C@]3([C@@]1([C@@](CC3)(C(C)C)[H])[H])C)(O2)[H])(C)O)[H] homalomenol D CHEBI:132871 (-)-homalomenol D CHEBI:132871 A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. CAS:436-77-1 PMID:18161288 PMID:19428795 PMID:19764054 PMID:20030508 PMID:20208355 PMID:21418191 PMID:22130369 PMID:22720080 PMID:23112944 PMID:23401195 PMID:23452799 PMID:23596478 PMID:24568493 PMID:24856768 PMID:25539072 PMID:25645647 PMID:25754692 PMID:25872479 PMID:26408176 PMID:26512898 PMID:26893655 Reaxys:78975 Wikipedia:Fangchinoline (1beta)-6,6',12-trimethoxy-2,2'-dimethylberbaman-7-ol chebi_ontology (+)-fangchinoline (+)-limacine (1beta)-2,2'-dimethyl-6,6',12-trimethoxyberbaman-7-ol 608.725 7-O-demethyltetrandrine C37H40N2O6 IIQSJHUEZBTSAT-VMPREFPWSA-N InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1 O1C=2C=C3C(=CC2OC)CCN([C@H]3CC4=CC=C(OC=5C=C(C[C@@]6(N(CCC=7C6=C1C(O)=C(OC)C7)C)[H])C=CC5OC)C=C4)C CHEBI:132893 fangchinoline CHEBI:132893 An oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one which is substituted by methylenedioxy grups at the 1,2 and 9,10 positions. Compared with liriodenine, which lacks the 9,10-methylenedioxy group, cassameridine displays only moderate antifungal activity. KNApSAcK:C00025782 PMID:7420287 Reaxys:1088882 8H-bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinolin-8-one chebi_ontology 319.268 ANNPRBPTCAXMQI-UHFFFAOYSA-N C18H9NO5 C=12C(C3=NC=CC4=CC5=C(C(C1C=C6C(=C2)OCO6)=C34)OCO5)=O InChI=1S/C18H9NO5/c20-17-10-5-12-11(21-6-22-12)4-9(10)15-14-8(1-2-19-16(14)17)3-13-18(15)24-7-23-13/h1-5H,6-7H2 cassameridin CHEBI:132894 cassameridine CHEBI:132894 A bisbenzylisoquinoline alkaloid that is 1',2',3',4'-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6', 7, and 12, and an oxo group at the 15' position. Isolated from Stephania tetrandra. CAS:102516-53-0 KNApSAcK:C00025994 PMID:3728032 6,6',7,12-tetramethoxy-2-methyl-1',2',3',4'-tetradehydroberbaman-15'-one chebi_ontology 618.676 C37H34N2O7 INUHRHLZFLIFNB-UHFFFAOYSA-N InChI=1S/C37H34N2O7/c1-39-15-13-24-19-32(43-4)36(44-5)37-33(24)27(39)16-21-6-11-28(41-2)30(17-21)45-25-9-7-22(8-10-25)35(40)34-26-20-31(46-37)29(42-3)18-23(26)12-14-38-34/h6-12,14,17-20,27H,13,15-16H2,1-5H3 O1C=2C=C3C(=CC2OC)C=CN=C3C(=O)C4=CC=C(OC=5C=C(CC6N(CCC=7C6=C1C(OC)=C(OC)C7)C)C=CC5OC)C=C4 CHEBI:132895 oxofangchirine CHEBI:132895 https://pubchem.ncbi.nlm.nih.gov/compound/161379 chebi_ontology stephanthrine CHEBI:132896 22108-99-2 CHEBI:132896 https://pubchem.ncbi.nlm.nih.gov/compound/8748 chebi_ontology CHEBI:132899 BETA-TERPINEOL CHEBI:132899 A sesquiterpenoid that is perhydroindane which is substituted by a (2-methylprop-1-en-1-yl) group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). CAS:145400-03-9 PMID:1368861 PMID:17511005 PMID:18975180 Reaxys:5810527 (1R,3aR,4R,7S,7aR)-3a,7-dimethyl-1-(2-methylprop-1-en-1-yl)octahydro-1H-indene-4,7-diol chebi_ontology 238.366 C15H26O2 FKMCEEHVCIIPLE-ZSAUSMIDSA-N InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h9,11-13,16-17H,5-8H2,1-4H3/t11-,12-,13-,14+,15+/m1/s1 [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)C=C(C)C)[H])(O)C)O)C homalomenol A CHEBI:132900 (+)-homalomenol A CHEBI:132900 A sesquiterpenoid that is (+)-homalomenol A in which the double bond of the 2-methylpropen-1-yl group has migrated from the 1-2 position to the 2-3 position. CAS:145400-04-0 PMID:1368861 Reaxys:5810044 (1R,3aR,4R,7S,7aR)-3a,7-dimethyl-1-(2-methylprop-2-en-1-yl)octahydro-1H-indene-4,7-diol chebi_ontology 238.366 C15H26O2 InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m1/s1 PECCCWAOADXQBC-ZSAUSMIDSA-N [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(C)=C)[H])(O)C)O)C homalomenol B CHEBI:132901 (+)-homalomenol B CHEBI:132901 https://pubchem.ncbi.nlm.nih.gov/compound/101634632 chebi_ontology 1beta,4beta,7alpha-trihydroxyeudesmane CHEBI:132902 1,4,7-Eudesmanetriol CHEBI:132902 https://pubchem.ncbi.nlm.nih.gov/compound/12313756 KNApSAcK:C00012788 PMID:10643672 PMID:15139145 PMID:18649899 PMID:19370929 PMID:19735040 (1S,4R,4aR,8aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol chebi_ontology (-)-oplodiol 238.366 C15H26O2 InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13-,14-,15+/m1/s1 SOZSXJHFVBBAOY-TUVASFSCSA-N [1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol [C@@]12([C@@H](CC[C@@]([C@@]1(CC(=CC2)C(C)C)[H])(O)C)O)C CHEBI:132903 oplodiol CHEBI:132903 A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species. PMID:1368861 PMID:17511005 PMID:18649899 PMID:23373216 Reaxys:5808002 (1R,3aR,4R,7S,7aR)-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol chebi_ontology (+)-bullatantriol 256.382 C15H28O3 InChI=1S/C15H28O3/c1-13(2,17)9-10-5-7-14(3)11(16)6-8-15(4,18)12(10)14/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m1/s1 JQHTXZNYHSCIFE-FPVZYODXSA-N [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(O)(C)C)[H])(O)C)O)C CHEBI:132904 bullatantriol CHEBI:132904 https://pubchem.ncbi.nlm.nih.gov/compound/10398656 chebi_ontology CHEBI:132905 alpha-Cadinol CHEBI:132905 https://pubchem.ncbi.nlm.nih.gov/compound/3084331 chebi_ontology CHEBI:132906 T-Muurolol CHEBI:132906 https://pubchem.ncbi.nlm.nih.gov/compound/14864716 chebi_ontology CHEBI:132907 Mucrolidin CHEBI:132907 chebi_ontology aspartate anion aspartic acid anion CHEBI:132943 aspartate CHEBI:132943 An octadecenoate in which the double bond is at C-9. octadec-9-enoate chebi_ontology 281.454 9-octadecenoate C(=CCCCCCCCC)CCCCCCCC(=O)[O-] C18:1, n-9(1-) C18H33O2 Delta(9)-octadecenoate InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1 ZQPPMHVWECSIRJ-UHFFFAOYSA-M CHEBI:132944 octadec-9-enoate CHEBI:132944 A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of any tartaric acid. CHEBI:35396 tartrate chebi_ontology tartaric acid anion tartaric acid anions tartrate anion tartrate anions tartrates CHEBI:132950 tartrate CHEBI:132950 A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid. chebi_ontology ethanedioic acid anion ethanedioic acid anions oxalate anion oxalate anions oxalates oxalic acid anion oxalic acid anions CHEBI:132952 oxalate CHEBI:132952 Any benzylisoquinoline alkaloid that has a 7-keto-4H-dibenzo[de,g]quinoline skeleton. They are found in members of the Anonacea, Aracea, Hernandiaceae, Lauraceae, Magnoliaceae, Menispermaceae, Monimiaceae, Papaveraceae, and Ranunculaceae families. chebi_ontology oxoaporphine alkaloids CHEBI:132998 oxoaporphine alkaloid CHEBI:132998 A type of benzylisoquinoline alkaloid whose structures are built up of two benzylisoquinoline units linked by ether bridges. Various structural patterns resulting from additional bridging between the two units by direct carbon-carbon bridging or by methylenedioxy groups are common. PMID:1955879 PMID:2191354 PMID:3323421 chebi_ontology bis(benzylisoquinoline) alkaloid bis(benzylisoquinoline) alkaloids bis-benzylisoquinoline alkaloid bis-benzylisoquinoline alkaloids bisbenzylisoquinoline alkaloids CHEBI:133004 bisbenzylisoquinoline alkaloid CHEBI:133004 A diterpenoid compound that contains three epoxide groups. Patent:US2002068098 chebi_ontology diterpene triepoxides CHEBI:133018 diterpene triepoxide CHEBI:133018 An oxaspiro compound in which a carbon atom of an epoxide ring is the only common member of two rings. chebi_ontology spiro-epoxides spiroepoxide spiroepoxides CHEBI:133131 spiro-epoxide CHEBI:133131 Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives. chebi_ontology chromenochromenes CHEBI:133135 chromenochromene CHEBI:133135 A monounsaturated fatty acid aldehyde that is undecanal which has undergone formal dehydrogenation to introduce a double bond at unspecified position. chebi_ontology 168.276 C11H20O CHEBI:133150 undecenal CHEBI:133150 An undecenal that has formula C11H20O. CAS:2463-77-6 undec-2-enal chebi_ontology 168.276 C(CCCCCCC)C(=CC=O)[H] C11H20O InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3 PANBRUWVURLWGY-UHFFFAOYSA-N CHEBI:133173 2-undecenal CHEBI:133173 A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds. chebi_ontology 88.019 C2O4R [O-]C(*C([O-])=O)=O a saturated dicarboxylic acid saturated dicarboxylate(2-) CHEBI:133291 saturated dicarboxylic acid dianion(2-) CHEBI:133291 Any dicarboxylic acid dianion carrying one or more oxo groups. chebi_ontology oxo dicarboxylic acid CHEBI:133294 oxo dicarboxylic acid dianion CHEBI:133294 A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent. glycols chebi_ontology Glykol a glycol CHEBI:13643 glycol CHEBI:13643 An amino-acid anion that has formula CH2NO2. Beilstein:3903503 CAS:302-11-4 Gmelin:239604 carbamate chebi_ontology 60.03212 CH2NO2 Carbamat InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1 KXDHJXZQYSOELW-UHFFFAOYSA-M Karbamat NC([O-])=O carbamate ion carbamic acid, ion(1-) CHEBI:13941 carbamate CHEBI:13941 An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group Gmelin:327908 glutamate(1-) hydrogen glutamate chebi_ontology 146.12136 2-ammoniopentanedioate C5H8NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1 WHUUTDBJXJRKMK-UHFFFAOYSA-M [NH3+]C(CCC([O-])=O)C([O-])=O glutamate glutamic acid monoanion CHEBI:14321 glutamate(1-) CHEBI:14321 An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. MetaCyc:Retinals Reaxys:2055098 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal retinal chebi_ontology 284.43572 C20H28O InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3 NCYCYZXNIZJOKI-UHFFFAOYSA-N [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C CHEBI:15035 retinal CHEBI:15035 A retinoid that has formula C20H27O2. 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate retinoate chebi_ontology 299.42718 C20H27O2 CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1 SHGAZHPCJJPHSC-UHFFFAOYSA-M CHEBI:15036 retinoate CHEBI:15036 An elemental selenium that has formula Se. CAS:22541-48-6 Gmelin:85522 selanediide selenide selenide(2-) chebi_ontology 78.96000 HMUBNCUQSSTAIB-UHFFFAOYSA-N InChI=1S/Se/q-2 Se Se(2-) [Se--] CHEBI:15076 selenide CHEBI:15076 Beilstein:5740673 rel-(2R,3R)-2,3-dihydroxybutanedioate chebi_ontology 148.07096 C4H4O6 CHEBI:15193 tartrate(2-) CHEBI:15193 A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity. CHEBI:13699 CHEBI:2377 KEGG:C00028 KEGG:C16722 Acceptor acceptor chebi_ontology A Akzeptor Hydrogen-acceptor Oxidized donor accepteur CHEBI:15339 acceptor CHEBI:15339 A glucosiduronic acid resulting from the formal condensation of any substance with beta-D-glucuronic acid to form a glycosidic bond. CHEBI:10404 CHEBI:13701 CHEBI:22803 KEGG:C03033 chebi_ontology Acceptor beta-D-glucuronoside C6H9O7R Glucuronide beta-D-Glucuronide beta-D-Glucuronoside beta-D-glucosiduronic acids beta-D-glucuronides beta-D-glucuronosides CHEBI:15341 beta-D-glucosiduronic acid CHEBI:15341 A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit. CHEBI:13294 CHEBI:13295 CHEBI:13298 CHEBI:23355 CHEBI:3771 CHEBI:41597 CHEBI:41631 CHEBI:741566 Beilstein:77809 CAS:85-61-0 DrugBank:DB01992 KEGG:C00010 KNApSAcK:C00007258 PDBeChem:COA PDBeChem:COZ PMID:11923312 PMID:13025483 PMID:15014152 PMID:15893380 PMID:18407920 PMID:19666462 PMID:20351285 PMID:2981478 PMID:7310833 Wikipedia:Coenzyme_A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} COENZYME A Coenzyme A chebi_ontology 3'-phosphoadenosine-(5')diphospho(4')pantatheine 767.53540 C21H36N7O16P3S CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CoA CoA-SH CoASH Coenzym A HSCoA InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 Koenzym A RGJOEKWQDUBAIZ-IBOSZNHHSA-N [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate CHEBI:15346 coenzyme A CHEBI:15346 A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. CHEBI:13985 CHEBI:23212 CHEBI:3665 CHEBI:41524 Beilstein:1736748 CAS:62-49-7 DrugBank:DB00122 ECMDB:ECMDB00097 Gmelin:324597 HMDB:HMDB00097 KEGG:C00114 KEGG:D07690 KNApSAcK:C00007298 MetaCyc:CHOLINE PDBeChem:CHT PMID:10930630 PMID:12826235 PMID:12946691 PMID:14972364 PMID:16210714 PMID:17087106 PMID:17283071 PMID:17344490 PMID:18204095 PMID:18230680 PMID:18786517 PMID:18786520 PMID:19246089 PMID:20038853 PMID:20446114 PMID:22770225 PMID:22961562 PMID:23095202 PMID:23616508 PMID:23637565 PMID:23733158 PMID:6420466 PMID:7590654 PMID:9517478 Reaxys:1736748 Wikipedia:Choline YMDB:YMDB00227 2-hydroxy-N,N,N-trimethylethanaminium Choline choline chebi_ontology 104.17080 Bilineurine C5H14NO CHOLINE ION C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 N,N,N-trimethylethanol-ammonium N-trimethylethanolamine OEYIOHPDSNJKLS-UHFFFAOYSA-N trimethylethanolamine CHEBI:15354 choline CHEBI:15354 Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. CHEBI:12686 CHEBI:13715 CHEBI:22197 CHEBI:2416 CHEBI:40559 Beilstein:1764436 CAS:51-84-3 DrugBank:DB03128 Gmelin:326108 KEGG:C01996 LINCS:LSM-5888 PDBeChem:ACH PMID:14764638 PMID:15014918 PMID:15231705 PMID:15361288 PMID:18050502 PMID:18407448 PMID:19255787 PMID:20963497 PMID:21130809 PMID:21246223 PMID:21545631 PMID:21601579 Wikipedia:Acetylcholine 2-acetyloxy-N,N,N-trimethylethanaminium ACETYLCHOLINE Acetylcholine acetylcholine chebi_ontology 146.20748 ACh Azetylcholin C7H16NO2 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 O-Acetylcholine OIPILFWXSMYKGL-UHFFFAOYSA-N choline acetate CHEBI:15355 acetylcholine CHEBI:15355 A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. CHEBI:14061 CHEBI:23508 CHEBI:4050 Beilstein:1721406 CAS:3374-22-9 Gmelin:2933 KEGG:C00736 KNApSAcK:C00001351 KNApSAcK:C00007323 PMID:17439666 PMID:25181601 Reaxys:1721406 Wikipedia:Cysteine Cysteine cysteine chebi_ontology 121.15922 2-Amino-3-mercaptopropionic acid 2-amino-3-mercaptopropanoic acid 2-amino-3-sulfanylpropanoic acid C C3H7NO2S Cys Cystein Hcys InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) NC(CS)C(O)=O XUJNEKJLAYXESH-UHFFFAOYSA-N Zystein cisteina CHEBI:15356 cysteine CHEBI:15356 A simple monocarboxylic acid containing two carbons. CHEBI:22169 CHEBI:2387 CHEBI:40486 Beilstein:506007 CAS:64-19-7 Gmelin:1380 HMDB:HMDB00042 KEGG:C00033 KEGG:D00010 KNApSAcK:C00001176 LIPID_MAPS_instance:LMFA01010002 MetaCyc:ACET PDBeChem:ACT PDBeChem:ACY PMID:12005138 PMID:15107950 PMID:16630552 PMID:16774200 PMID:17190852 PMID:19416101 PMID:19469536 PMID:22153255 PMID:22173419 Reaxys:506007 Wikipedia:Acetic_acid ACETIC ACID Acetic acid acetic acid chebi_ontology 60.05200 AcOH C2H4O2 CC(O)=O CH3-COOH CH3CO2H E 260 E-260 E260 Essigsaeure Ethanoic acid Ethylic acid HOAc INS No. 260 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) MeCO2H MeCOOH Methanecarboxylic acid QTBSBXVTEAMEQO-UHFFFAOYSA-N acide acetique ethoic acid CHEBI:15366 acetic acid CHEBI:15366 A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. CHEBI:45376 CHEBI:8815 Beilstein:2057223 CAS:302-79-4 DrugBank:DB00755 HMDB:HMDB01852 KEGG:C00777 KEGG:D00094 LIPID_MAPS_instance:LMPR01090019 PDBeChem:REA PMID:11073974 PMID:11214352 PMID:11332619 PMID:11343416 PMID:11437362 PMID:11556813 PMID:11722649 PMID:11896294 PMID:11904404 PMID:14581379 PMID:14605492 PMID:14627725 PMID:14704332 PMID:14705145 PMID:14978018 PMID:15194426 PMID:15318809 PMID:15327395 PMID:15359008 PMID:15376324 PMID:15476854 PMID:15537748 PMID:15539337 PMID:15675886 PMID:15839997 PMID:16569247 PMID:16685080 PMID:16688769 PMID:16720557 PMID:16819260 PMID:16847436 PMID:16920920 PMID:17073551 PMID:17166212 PMID:17204142 PMID:18052213 PMID:18085670 PMID:18162363 PMID:18183617 PMID:18318655 PMID:18322276 PMID:18400206 PMID:18404486 PMID:18440196 PMID:18678272 PMID:18819820 PMID:18977311 PMID:19112091 PMID:19144697 PMID:19427305 PMID:19587328 PMID:19597529 PMID:19814868 PMID:19841174 PMID:21898109 PMID:21924320 PMID:21993673 PMID:22134377 PMID:22177959 PMID:22180426 PMID:22244299 PMID:22261335 PMID:22428994 PMID:22514600 PMID:22532966 PMID:22534100 PMID:22538278 PMID:22741806 Reaxys:2057223 Wikipedia:Tretinoin (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid all-trans-Retinoic acid chebi_ontology (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL) 300.43512 AGN 100335 Acide retinoique (French) (DSL) C20H28O2 CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ RETINOIC ACID Renova Retin-A Retinoic acid Retisol-A Ro 1-5488 SHGAZHPCJJPHSC-YCNIQYBTSA-N Stieva-A Tretin M Tretinoine (French) (EINECS) Vesanoid Vitamin A acid all-(E)-Retinoic acid all-trans-Tretinoin all-trans-Vitamin A acid all-trans-Vitamin A1 acid all-trans-beta-Retinoic acid beta-Retinoic acid trans-Retinoic acid tretinoin CHEBI:15367 all-trans-retinoic acid CHEBI:15367 A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. CHEBI:14506 CHEBI:18466 CHEBI:6463 CAS:138-86-3 CAS:7705-14-8 KEGG:C06078 KNApSAcK:C00000823 KNApSAcK:C00003043 Reaxys:774123 UM-BBD_compID:c0626 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene Limonene limonene p-mentha-1,8-diene chebi_ontology (+-)-(RS)-limonene (+/-)-limonene 1,8-p-menthadiene 1-methyl-4-(1-methylethenyl)cyclohexene 136.23404 4-isopropenyl-1-methylcyclohexene C10H16 CC(=C)C1CCC(C)=CC1 Cajeputene Dipentene InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 Kautschin XMGQYMWWDOXHJM-UHFFFAOYSA-N dl-Limonene CHEBI:15384 limonene CHEBI:15384 A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,8aR-enantiomer). CHEBI:10750 CHEBI:18458 CHEBI:56 CAS:483-76-1 KEGG:C06394 KNApSAcK:C00007636 LIPID_MAPS_instance:LMPR0103330001 MetaCyc:CPD-1722 (+)-delta-Cadinene cadina-1(10),4-diene chebi_ontology (1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene (1S,8aR)-delta-cadinene 204.35106 C15H24 FUCYIEXQVQJBKY-ZFWWWQNUSA-N InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1 [H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C delta-amorphene delta-cadinene CHEBI:15385 (+)-delta-cadinene CHEBI:15385 The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. CHEBI:10792 CHEBI:14344 CHEBI:24368 CHEBI:42964 CHEBI:5460 Beilstein:635782 CAS:56-40-6 DrugBank:DB00145 ECMDB:ECMDB00123 Gmelin:1808 HMDB:HMDB00123 KEGG:C00037 KEGG:D00011 KNApSAcK:C00001361 MetaCyc:GLY PDBeChem:GLY PMID:10930630 PMID:11019925 PMID:11174716 PMID:11542461 PMID:11806864 PMID:12631515 PMID:12754315 PMID:12770151 PMID:12921899 PMID:15331688 PMID:15388434 PMID:15710237 PMID:16105183 PMID:16151895 PMID:16214212 PMID:16417482 PMID:16444815 PMID:16664855 PMID:16901953 PMID:16918424 PMID:16986325 PMID:16998855 PMID:17154252 PMID:17383967 PMID:17582620 PMID:17970719 PMID:18079355 PMID:18396796 PMID:18440992 PMID:18593588 PMID:18816054 PMID:18840508 PMID:19028609 PMID:19120667 PMID:19449910 PMID:19526731 PMID:19544666 PMID:19738917 PMID:19916621 PMID:19924257 PMID:21751272 PMID:22044190 PMID:22079563 PMID:22234938 PMID:22264337 PMID:22293292 PMID:22401276 PMID:22434786 Reaxys:635782 Wikipedia:Glycine YMDB:YMDB00016 GLYCINE Glycine aminoacetic acid glycine chebi_ontology 75.06664 Aminoacetic acid Aminoessigsaeure C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N G Gly Glycin Glycocoll Glykokoll Glyzin H2N-CH2-COOH Hgly InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) Leimzucker NCC(O)=O aminoethanoic acid CHEBI:15428 glycine CHEBI:15428 A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. CHEBI:10795 CHEBI:10843 CHEBI:15104 CHEBI:26746 CHEBI:9245 Beilstein:1728920 CAS:111-02-4 KEGG:C00751 KNApSAcK:C00003755 LIPID_MAPS_instance:LMPR0106010002 PMID:16341241 PMID:24362891 (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene Squalene squalene chebi_ontology (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene 410.71800 C30H50 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ Spinacene Supraene YYGNTYWPHWGJRM-AAJYLUCBSA-N CHEBI:15440 squalene CHEBI:15440 An oxo fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 3-oxo-fatty acid.. CHEBI:11868 CHEBI:13606 CHEBI:1629 CHEBI:20161 KEGG:C00264 PMID:11315193 PMID:11418601 PMID:11879205 PMID:7957058 PMID:8541311 chebi_ontology 3-Oxoacyl-CoA 3-oxo fatty acyl-CoAs 3-oxo fatty acyl-coenzyme A 836.57300 C24H37N7O18P3SR CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([*])=O CHEBI:15489 3-oxo-fatty acyl-CoA CHEBI:15489 A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid. CHEBI:14556 CHEBI:25114 Beilstein:3664410 CAS:149-61-1 Gmelin:327305 KEGG:C00711 PMID:17190852 Reaxys:3664410 2-hydroxybutanedioate chebi_ontology 132.07156 BJEPYKJPYRNKOW-UHFFFAOYSA-L C4H4O5 InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2 OC(CC([O-])=O)C([O-])=O hydroxybutanedioic acid, ion(2-) mal malate anion malate dianion CHEBI:15595 malate(2-) CHEBI:15595 The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. CHEBI:10862 CHEBI:18 CHEBI:18443 CAS:154-23-4 HMDB:HMDB02780 KEGG:C06562 KNApSAcK:C00000947 LIPID_MAPS_instance:LMPK12020001 MetaCyc:CPD-1961 PDBeChem:KXN PMID:10617953 PMID:11196148 PMID:1502708 PMID:8224433 PMID:9438556 Reaxys:92761 Wikipedia:Catechin (+)-Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol chebi_ontology (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol (+)-Catechol (+)-Cyanidan-3-ol (2R,3S)-(+)-Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol (2R,3S)-Catechin (2R,3S)-catechin (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol 290.26810 C15H14O6 Cianidanol Cyanidanol D-Catechin InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 PFTAWBLQPZVEMU-DZGCQCFKSA-N catechuic acid CHEBI:15600 (+)-catechin CHEBI:15600 A pterocarpan that has formula C15H12O4. CHEBI:10934 CHEBI:18599 CHEBI:259 CAS:61135-91-9 KEGG:C04271 (6AR,11AR)-3,9-dihydroxypterocarpan (6aR,11aR)-3,9-Dihydroxypterocarpan (6aR,11aR)-3,9-dihydroxypterocarpan (6aR,11aR)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol chebi_ontology (6aR-cis)-6a,11a-Dihydro-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol 256.25338 C15H12O4 InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1 ODMIEGVTNZNSLD-WFASDCNBSA-N [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(O)ccc21 CHEBI:15648 (6aR,11aR)-3,9-dihydroxypterocarpan CHEBI:15648 A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3. CHEBI:9404 CAS:87-69-4 Gmelin:27021 KEGG:C00898 KEGG:D00103 KNApSAcK:C00001206 Reaxys:510169 Wikipedia:Tartaric_Acid 2,3-dihydroxybutanedioic acid chebi_ontology (+)-Tartaric acid (2R,3R)-Tartaric acid (R,R)-Tartrate 150.08684 2,3-dihydroxysuccinic acid C4H6O6 FEWJPZIEWOKRBE-UHFFFAOYSA-N InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) L-Tartaric acid OC(C(O)C(O)=O)C(O)=O Tartaric acid CHEBI:15674 2,3-dihydroxybutanedioic acid CHEBI:15674 Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. CHEBI:13755 CHEBI:22305 CHEBI:2561 KEGG:C01370 Wikipedia:Aldose Aldose chebi_ontology 90.07790 C2H4O2(CH2O)n aldoses an aldose CHEBI:15693 aldose CHEBI:15693 Any alpha-amino acid having L-configuration at the alpha-carbon. CHEBI:13072 CHEBI:13243 CHEBI:13797 CHEBI:21224 CHEBI:6175 KEGG:C00151 L-alpha-amino acid L-alpha-amino acids chebi_ontology 74.05870 C2H4NO2R L-2-Amino acid L-Amino acid L-alpha-amino acids N[C@@H]([*])C(O)=O CHEBI:15705 L-alpha-amino acid CHEBI:15705 A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. CHEBI:13676 CHEBI:14887 CHEBI:26262 CHEBI:57489 CHEBI:8406 KEGG:C00226 Primary alcohol chebi_ontology 1-Alcohol 31.03390 CH3OR [H]C([H])(O)[*] a primary alcohol primary alcohols CHEBI:15734 primary alcohol CHEBI:15734 A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. CHEBI:14276 CHEBI:24081 Beilstein:1901205 CAS:71-47-6 Gmelin:1006 HMDB:HMDB00142 KEGG:C00058 MetaCyc:FORMATE PMID:17190852 PMID:3946945 Reaxys:1901205 UM-BBD_compID:c0106 Wikipedia:Formate formate chebi_ontology 45.01744 BDAGIHXWWSANSR-UHFFFAOYSA-M CHO2 HCO2 anion InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 [H]C([O-])=O aminate formiate formic acid, ion(1-) formylate hydrogen carboxylate methanoate CHEBI:15740 formate CHEBI:15740 An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. CHEBI:22943 CHEBI:26807 CHEBI:45639 CHEBI:9304 Beilstein:1754069 CAS:110-15-6 DrugBank:DB00139 ECMDB:ECMDB00254 Gmelin:2785 HMDB:HMDB00254 KEGG:C00042 KNApSAcK:C00001205 LIPID_MAPS_instance:LMFA01170043 MetaCyc:SUC PDBeChem:SIN PMID:17439666 Reaxys:1754069 Wikipedia:Succinic_acid YMDB:YMDB00338 SUCCINIC ACID Succinic acid butanedioic acid succinic acid chebi_ontology 1,2-ethanedicarboxylic acid 118.08800 Bernsteinsaeure Butandisaeure Butanedionic acid C4H6O4 Dihydrofumaric acid E363 Ethylenesuccinic acid HOOC-CH2-CH2-COOH InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N OC(=O)CCC(O)=O acide butanedioique acide succinique acidum succinicum amber acid asuccin spirit of amber CHEBI:15741 succinic acid CHEBI:15741 A straight-chain, sixteen-carbon, saturated long-chain fatty acid. CHEBI:14730 CHEBI:233028 CHEBI:24540 CHEBI:24541 CHEBI:24542 CHEBI:24550 CHEBI:29889 CHEBI:35978 CHEBI:44952 Beilstein:607489 CAS:57-10-3 DrugBank:DB03796 Gmelin:190200 HMDB:HMDB00220 KEGG:C00249 KEGG:D05341 KNApSAcK:C00001233 KNApSAcK:C00030479 LIPID_MAPS_instance:LMFA01010001 MetaCyc:PALMITATE PDBeChem:PLM PMID:12492626 PMID:15357969 PMID:1589452 PMID:16509590 PMID:16884313 PMID:17439666 PMID:17502136 PMID:20001317 PMID:22735334 Reaxys:607489 Wikipedia:Palmitic_acid hexadecanoic acid chebi_ontology 1-Pentadecanecarboxylic acid 1-hexyldecanoic acid 16:00 256.42410 C16 C16 fatty acid C16:0 C16H32O2 CCCCCCCCCCCCCCCC(O)=O CH3-[CH2]14-COOH Hexadecanoate Hexadecylic acid Hexaectylic acid IPCSVZSSVZVIGE-UHFFFAOYSA-N InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) PALMITIC ACID Palmitate Palmitic acid Palmitinic acid Palmitinsaeure Pentadecanecarboxylic acid cetylic acid hexadecoic acid n-hexadecanoic acid n-hexadecoic acid palmitic acid CHEBI:15756 hexadecanoic acid CHEBI:15756 An iridoid monoterpenoid isolated from the plant species of the genus Cornus. CHEBI:14525 CHEBI:25069 CHEBI:6513 AGR:IND500719365 CAS:18524-94-2 KEGG:C01433 KNApSAcK:C00003088 LIPID_MAPS_instance:LMPR0102070001 MetaCyc:LOGANIN PMID:19666019 PMID:22931211 Reaxys:55724 Wikipedia:Loganin Loganin loganin methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate chebi_ontology 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester 390.38234 AMBQHHVBBHTQBF-UOUCRYGSSA-N C17H26O10 InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1 [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CHEBI:15771 loganin CHEBI:15771 A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid. CHEBI:14563 CHEBI:25130 CHEBI:44151 Beilstein:3904386 CAS:156-80-9 DrugBank:DB02201 Gmelin:141932 KEGG:C00383 PDBeChem:MLI Reaxys:3904386 propanedioate chebi_ontology (-)OOC-CH2-COO(-) 102.04558 C3H2O4 InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2 MALONATE ION OFOBLEOULBTSOW-UHFFFAOYSA-L [O-]C(=O)CC([O-])=O malo malonate malonic acid, ion(2-) propanedioic acid, ion(2-) CHEBI:15792 malonate(2-) CHEBI:15792 A 3'-hydroxyflavonoid which is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an agent in the prevention of inflammation, a promoter of carbohydrate metabolism, and an immune system modulator. CHEBI:12082 CHEBI:14536 CHEBI:25086 CHEBI:6578 CAS:491-70-3 HMDB:HMDB05800 KEGG:C01514 KNApSAcK:C00000674 LINCS:LSM-5229 LIPID_MAPS_instance:LMPK12110006 MetaCyc:5734-TETRAHYDROXYFLAVONE PMID:18946424 PMID:18991571 PMID:21899269 PMID:22749133 PMID:23035972 PMID:23229294 Reaxys:292084 Wikipedia:Luteolin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one Luteolin chebi_ontology 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 286.23630 3',4',5,7-Tetrahydroxyflavone 5,7,3',4'-Tetrahydroxyflavone C15H10O6 IQPNAANSBPBGFQ-UHFFFAOYSA-N InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H Luteolol Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Salifazide digitoflavone flacitran CHEBI:15864 luteolin CHEBI:15864 A 3-hydroxy steroid closely related to cholestan-3-ol. CHEBI:13688 CHEBI:15114 CHEBI:26771 CHEBI:9266 KEGG:C00370 LIPID_MAPS_class:LMST01 Sterol sterol sterols chebi_ontology 3-hydroxysteroids CHEBI:15889 sterol CHEBI:15889 A pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. CHEBI:12078 CHEBI:19360 CHEBI:1999 CHEBI:20511 CHEBI:42107 CHEBI:921 Beilstein:112496 Beilstein:1851498 CAS:504-07-4 HMDB:HMDB00076 KEGG:C00429 MetaCyc:DI-H-URACIL PDBeChem:DUC PMID:15724255 PMID:18619742 PMID:20926004 PMID:22770225 Reaxys:112496 Wikipedia:Dihydrouracil 5,6-Dihydrouracil 5,6-dihydrouracil dihydropyrimidine-2,4(1H,3H)-dione chebi_ontology 114.10272 2,4(1H,3H)-Pyrimidinedione, dihydro- 2,4-Dioxotetrahydropyrimidine 5,6-Dihydro-2,4-dihydroxypyrimidine C4H6N2O2 DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE Dihydro-2,4(1H,3H)-pyrimidinedione Dihydrouracil Dihydrouracile Hydrouracil InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) O=C1CCNC(=O)N1 OIVLITBTBDPEFK-UHFFFAOYSA-N CHEBI:15901 5,6-dihydrouracil CHEBI:15901 D-Glucopyranose with beta configuration at the anomeric centre. CHEBI:10397 CHEBI:12373 CHEBI:22795 CHEBI:41140 Beilstein:1281607 CAS:492-61-5 DrugBank:DB02379 Gmelin:648637 KEGG:C00221 PDBeChem:BGC PMID:19443021 PMID:25568069 Reaxys:1281607 BETA-D-GLUCOSE beta-D-Glucose beta-D-glucopyranose beta-D-glucose chebi_ontology 180.15588 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O WQZGKKKJIJFFOK-VFUOTHLCSA-N CHEBI:15903 beta-D-glucose CHEBI:15903 A fatty acid with a chain length ranging from C13 to C22. CHEBI:13655 CHEBI:14529 CHEBI:25075 CHEBI:6528 KEGG:C00638 Long-chain fatty acid chebi_ontology CHO2R Higher fatty acid LCFA LCFAs OC([*])=O long-chain fatty acids CHEBI:15904 long-chain fatty acid CHEBI:15904 A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. CHEBI:25538 CHEBI:44319 CHEBI:7559 Beilstein:109591 CAS:59-67-6 DrugBank:DB00627 Gmelin:3340 HMDB:HMDB01488 KEGG:C00253 KEGG:D00049 KNApSAcK:C00000208 LINCS:LSM-4676 MetaCyc:NIACINE PDBeChem:NIO PMID:12563315 PMID:12789870 PMID:15037193 PMID:15183629 PMID:15205990 PMID:15311728 PMID:15627518 PMID:16018787 PMID:16172771 PMID:16400392 PMID:16449845 PMID:16767301 PMID:16877271 PMID:16945375 PMID:18037924 PMID:18993152 PMID:18996527 PMID:19369827 PMID:19592242 PMID:19678716 PMID:19779335 PMID:20979384 PMID:21632263 PMID:22116693 PMID:22155410 PMID:22229411 PMID:22366213 PMID:22458880 PMID:22770225 PMID:24568240 PMID:24675661 PMID:24848081 PMID:24975217 PMID:25040591 PMID:25241762 PMID:25429652 PMID:4259917 Reaxys:109591 Wikipedia:Niacin NICOTINIC ACID Nicotinic acid nicotinic acid pyridine-3-carboxylic acid chebi_ontology 123.10944 3-Pyridinecarboxylic acid 3-Pyridylcarboxylic acid 3-carboxypyridine C6H5NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) Niacin Nikotinsaeure OC(=O)c1cccnc1 P.P. factor PP factor PVNIIMVLHYAWGP-UHFFFAOYSA-N acide nicotinique acido nicotinico acidum nicotinicum anti-pellagra vitamin beta-pyridinecarboxylic acid m-pyridinecarboxylic acid nicotinic acid pellagra preventive factor pyridine-beta-carboxylic acid vitamin B3 CHEBI:15940 nicotinic acid CHEBI:15940 An optically active form of lactate having (R)-configuration. CHEBI:11001 CHEBI:18684 Beilstein:4655978 Gmelin:362716 KEGG:C00256 MetaCyc:D-LACTATE Reaxys:4655978 (2R)-2-hydroxypropanoate (R)-lactate chebi_ontology 89.07000 C3H5O3 C[C@@H](O)C([O-])=O D-2-hydroxypropanoate D-2-hydroxypropionate D-lactate InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1 JVTAAEKCZFNVCJ-UWTATZPHSA-M CHEBI:16004 (R)-lactate CHEBI:16004 An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum. CHEBI:14229 CHEBI:23999 CHEBI:45136 CHEBI:4898 Beilstein:1901871 CAS:100-41-4 DrugBank:DB01722 Gmelin:2990 HMDB:HMDB59905 KEGG:C07111 MetaCyc:ETHYLBENZENE Reaxys:1901871 UM-BBD_compID:c0116 Wikipedia:Ethylbenzene Ethylbenzene ethylbenzene chebi_ontology 106.16500 Aethylbenzol C8H10 CCc1ccccc1 Ethylbenzol Ethylenzene InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 PHENYLETHANE Phenylethane YNQLUTRBYVCPMQ-UHFFFAOYSA-N alpha-methyltoluene CHEBI:16101 ethylbenzene CHEBI:16101 A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. CHEBI:13972 CHEBI:23145 CHEBI:3625 CAS:327-97-9 HMDB:HMDB03164 KEGG:C00852 KNApSAcK:C00002724 MetaCyc:CAFFEOYLQUINATE PMID:16507475 PMID:22770225 Reaxys:2017157 Wikipedia:Chlorogenic_acid Chlorogenic acid edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid chebi_ontology 3-(3,4-Dihydroxycinnamoyl)quinic acid 3-Caffeoylquinic acid 3-O-Caffeoylquinic acid 354.30870 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N Caffeoyl quinic acid Chlorogenate InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid trans-5-O-Caffeoyl-D-quinate CHEBI:16112 chlorogenic acid CHEBI:16112 A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group. CHEBI:13982 CHEBI:23204 CHEBI:3659 CHEBI:41564 Beilstein:2060565 CAS:57-88-5 DrugBank:DB04540 Gmelin:550297 HMDB:HMDB00067 KEGG:C00187 KEGG:D00040 KNApSAcK:C00003648 LIPID_MAPS_instance:LMST01010001 MetaCyc:CHOLESTEROL PDBeChem:CLR PMID:10901445 PMID:11412894 PMID:16341241 PMID:24287311 PMID:25308664 PMID:25451949 PMID:25522988 PMID:25658343 PMID:25977713 PMID:4696527 PMID:8838010 Reaxys:2060565 Wikipedia:Cholesterol CHOLESTEROL Cholesterol cholest-5-en-3beta-ol cholesterol chebi_ontology (3beta,14beta,17alpha)-cholest-5-en-3-ol 386.65350 C27H46O CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Cholest-5-en-3beta-ol Cholesterin HVYWMOMLDIMFJA-DPAQBDIFSA-N InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 CHEBI:16113 cholesterol CHEBI:16113 A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. CHEBI:26662 CHEBI:26664 CHEBI:45740 CHEBI:9133 Beilstein:2210055 CAS:138-59-0 HMDB:HMDB03070 KEGG:C00493 KNApSAcK:C00001203 PDBeChem:SKM PMID:24190737 PMID:24628944 PMID:24783849 PMID:24836188 PMID:24894540 PMID:24981409 Reaxys:2210055 Wikipedia:Shikimic_acid (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid Shikimic acid chebi_ontology 174.15130 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid C7H10O5 InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 JXOHGGNKMLTUBP-HSUXUTPPSA-N L-shikimic acid O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O Shikimate [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid CHEBI:16119 shikimic acid CHEBI:16119 An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. CHEBI:13405 CHEBI:13406 CHEBI:13407 CHEBI:13771 CHEBI:22533 CHEBI:44269 CHEBI:44284 CHEBI:44404 CHEBI:7434 Beilstein:3587154 CAS:7664-41-7 Gmelin:79 HMDB:HMDB00051 KEGG:C00014 KEGG:D02916 KNApSAcK:C00007267 MetaCyc:AMMONIA MolBase:930 PDBeChem:NH3 PMID:110589 PMID:11139349 PMID:11540049 PMID:11746427 PMID:11783653 PMID:13753780 PMID:14663195 PMID:15092448 PMID:15094021 PMID:15554424 PMID:15969015 PMID:16008360 PMID:16050680 PMID:16348008 PMID:16349403 PMID:16614889 PMID:16664306 PMID:16842901 PMID:17025297 PMID:17439666 PMID:17569513 PMID:17737668 PMID:18670398 PMID:22002069 PMID:22081570 PMID:22088435 PMID:22100291 PMID:22130175 PMID:22150211 PMID:22240068 PMID:22290316 PMID:22342082 PMID:22385337 PMID:22443779 PMID:22560242 Reaxys:3587154 Wikipedia:Ammonia AMMONIA Ammonia ammonia azane chebi_ontology 17.03056 Ammoniak H3N InChI=1S/H3N/h1H3 NH3 QGZKDVFQNNGYKY-UHFFFAOYSA-N R-717 [H]N([H])[H] [NH3] ammoniac amoniaco spirit of hartshorn CHEBI:16134 ammonia CHEBI:16134 A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. CHEBI:14393 CHEBI:24511 CHEBI:5671 Beilstein:1738898 CAS:629-78-7 HMDB:HMDB59830 KEGG:C01816 KNApSAcK:C00030472 LIPID_MAPS_instance:LMFA11000003 MetaCyc:HEPTADECANE-CPD PMID:19296389 PMID:24354326 Reaxys:1738898 Wikipedia:Heptadecane Heptadecane heptadecane chebi_ontology 240.46774 C17H36 CCCCCCCCCCCCCCCCC CH3-[CH2]15-CH3 Heptadekan InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 NDJKXXJCMXVBJW-UHFFFAOYSA-N n-heptadecane CHEBI:16148 heptadecane CHEBI:16148 The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. CHEBI:13879 CHEBI:22717 Beilstein:1862486 CAS:766-76-7 Gmelin:2945 HMDB:HMDB01870 KEGG:C00180 MetaCyc:BENZOATE Reaxys:1862486 UM-BBD_compID:c0121 benzoate chebi_ontology 121.11340 Benzenecarboxylate Benzeneformate Benzenemethanoate C7H5O2 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 Phenylcarboxylate Phenylformate WPYMKLBDIGXBTP-UHFFFAOYSA-M [O-]C(=O)c1ccccc1 benzoate anion benzoic acid, ion(1-) CHEBI:16150 benzoate CHEBI:16150 A carboxylic ester obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid. CHEBI:15039 CHEBI:26540 CHEBI:8818 Retinyl ester retinyl ester chebi_ontology 313.45380 C21H29O2R CC(=CCOC([*])=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C retinyl esters CHEBI:16179 retinyl ester CHEBI:16179 An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. CHEBI:104361 CHEBI:25664 CHEBI:44741 CHEBI:7741 Beilstein:1726542 CAS:112-80-1 DrugBank:DB04224 ECMDB:ECMDB21348 Gmelin:109551 Gmelin:57556 HMDB:HMDB00207 KEGG:C00712 KEGG:D02315 KNApSAcK:C00001232 LIPID_MAPS_instance:LMFA01030002 PDBeChem:OLA PMID:11304127 PMID:15325315 PMID:15723125 PMID:18772370 PMID:19761868 PMID:23844805 PMID:24819471 PMID:25794012 PMID:5332408 PMID:6205897 Reaxys:1726542 Wikipedia:Oleic_acid (9Z)-octadec-9-enoic acid OLEIC ACID Oleic acid chebi_ontology (9Z)-Octadecenoic acid (Z)-Octadec-9-enoic acid 18:1 n-9 18:1Delta9cis 282.46140 C18:1 n-9 C18H34O2 CCCCCCCC\C=C/CCCCCCCC(O)=O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- Octadec-9-enoic acid Oelsaeure Oleate ZQPPMHVWECSIRJ-KTKRTIGZSA-N cis-9-octadecenoic acid cis-Delta(9)-octadecenoic acid cis-oleic acid CHEBI:16196 oleic acid CHEBI:16196 A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. CHEBI:14222 CHEBI:23978 CHEBI:30878 CHEBI:30880 CHEBI:42377 CHEBI:44594 CHEBI:4879 Beilstein:1718733 CAS:64-17-5 DrugBank:DB00898 Gmelin:787 HMDB:HMDB00108 KEGG:C00469 KEGG:D00068 KEGG:D06542 KNApSAcK:C00019560 MetaCyc:ETOH MolBase:858 MolBase:859 PDBeChem:EOH PDBeChem:OHE PMID:11046114 PMID:11090978 PMID:11198720 PMID:11200745 PMID:11262320 PMID:11303910 PMID:11333032 PMID:11505026 PMID:11590970 PMID:11728426 PMID:11750186 PMID:11754521 PMID:11810019 PMID:11826039 PMID:11981228 PMID:12824058 PMID:12829422 PMID:12888778 PMID:12946583 PMID:14674846 PMID:15019421 PMID:15239123 PMID:15285839 PMID:15464411 PMID:15465973 PMID:15749123 PMID:15900217 PMID:15902919 PMID:16084479 PMID:16133132 PMID:16352430 PMID:16390872 PMID:16737463 PMID:16891664 PMID:16934862 PMID:17043811 PMID:17190852 PMID:17663926 PMID:17687877 PMID:18095657 PMID:18249266 PMID:18320157 PMID:18347649 PMID:18408978 PMID:18411066 PMID:18456322 PMID:18513832 PMID:18922656 PMID:18925476 PMID:19280886 PMID:19359288 PMID:19384566 PMID:19458312 PMID:19851413 PMID:19901811 PMID:21600756 PMID:21762181 PMID:21881875 PMID:21967628 PMID:22019193 PMID:22222864 PMID:22261437 PMID:22286266 PMID:22306018 PMID:22331491 PMID:22336593 Reaxys:1718733 UM-BBD_compID:c0038 Wikipedia:Ethanol ETHANOL Ethanol ethanol chebi_ontology 1-hydroxyethane 46.06844 Aethanol Aethylalkohol Alkohol C2H5OH C2H6O CCO Dehydrated ethanol EtOH Ethyl alcohol InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 LFQSCWFLJHTTHZ-UHFFFAOYSA-N Methylcarbinol [CH2Me(OH)] [OEtH] alcohol alcohol etilico alcool ethylique etanol hydroxyethane spiritus vini CHEBI:16236 ethanol CHEBI:16236 A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. CHEBI:11704 CHEBI:14991 CHEBI:26472 CHEBI:45280 CHEBI:8696 Beilstein:317313 CAS:117-39-5 DrugBank:DB04216 Gmelin:579210 HMDB:HMDB05794 KEGG:C00389 KNApSAcK:C00004631 LINCS:LSM-4199 LIPID_MAPS_instance:LMPK12110004 MetaCyc:CPD-520 PDBeChem:QUE PMID:18549926 PMID:18564899 PMID:18579649 PMID:22920589 PMID:23342112 PMID:23359794 Patent:KR20120121684 Patent:US2013012577 Reaxys:317313 Wikipedia:Quercetin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one Quercetin chebi_ontology 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 3,3',4',5,7-pentahydroxyflavone 3,5,7,3',4'-PENTAHYDROXYFLAVONE 3,5,7,3',4'-Pentahydroxyflavone 302.23570 C15H10O7 InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O REFJWTPEDVJJIY-UHFFFAOYSA-N sophoretin xanthaurine CHEBI:16243 quercetin CHEBI:16243 A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. CHEBI:14816 CHEBI:26063 CHEBI:8150 KEGG:C00865 Phospholipid chebi_ontology C5H6O8PR3 phospholipid derivative phospholipids CHEBI:16247 phospholipid CHEBI:16247 A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. CHEBI:13734 CHEBI:22237 CHEBI:2472 CHEBI:40558 CHEBI:40825 CHEBI:40906 Beilstein:93029 CAS:58-61-7 DrugBank:DB00640 ECMDB:ECMDB00050 Gmelin:53385 HMDB:HMDB00050 KEGG:C00212 KEGG:D00045 KNApSAcK:C00007444 LINCS:LSM-28568 MetaCyc:ADENOSINE PDBeChem:ADN PMID:11213237 PMID:11820865 PMID:11978011 PMID:16183671 PMID:16917093 PMID:17190852 PMID:18000974 PMID:323854 Reaxys:93029 Wikipedia:Adenosine YMDB:YMDB00058 ADENOSINE Adenosine adenosine chebi_ontology (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 267.24152 6-Amino-9-beta-D-ribofuranosyl-9H-purine 9-beta-D-Ribofuranosidoadenine 9-beta-D-Ribofuranosyl-9H-purin-6-amine 9-beta-D-ribofuranosyl-9H-purin-6-amine Ade-Rib Adenine Deoxyribonucleoside Adenocard Adenocor Adenoscan Adenosin Adenyldeoxyriboside Ado C10H13N5O4 Deoxyadenosine Desoxyadenosine InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O OIRDTQYFTABQOQ-KQYNXXCUSA-N beta-D-Adenosine CHEBI:16335 adenosine CHEBI:16335 An optically active form of threonine having D-configuration. CHEBI:13027 CHEBI:21107 CHEBI:42146 CHEBI:42196 CHEBI:42224 CHEBI:4254 CHEBI:45935 CHEBI:45990 Beilstein:1721643 Beilstein:4656043 CAS:632-20-2 DrugBank:DB03700 ECMDB:ECMDB21519 Gmelin:874136 HMDB:HMDB13775 KEGG:C00820 PDBeChem:DTH PMID:15375647 PMID:17081141 PMID:22176976 Reaxys:1721643 YMDB:YMDB00802 D-THREONINE D-Threonine D-threonine chebi_ontology (2R,3S)-2-amino-3-hydroxybutanoic acid 119.11920 AYFVYJQAPQTCCC-STHAYSLISA-N C4H9NO3 C[C@H](O)[C@@H](N)C(O)=O D-2-Amino-3-hydroxybutyric acid D-Threonin DTH InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1 CHEBI:16398 D-threonine CHEBI:16398 The trans-isomer of caffeic acid. CHEBI:11691 CHEBI:11692 CHEBI:12870 CHEBI:1379 CHEBI:19877 CHEBI:41964 Beilstein:1954563 CAS:331-39-5 CAS:501-16-6 HMDB:HMDB01964 KEGG:C01197 KEGG:C01481 KNApSAcK:C00000615 PDBeChem:DHC Reaxys:1954563 Wikipedia:Caffeic_acid (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid chebi_ontology 180.15740 3,4-Dihydroxy-trans-cinnamate 3,4-Dihydroxycinnamic acid 3,4-dihydroxy-trans-cinnamate C9H8O4 CAFFEIC ACID Caffeic acid InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ OC(=O)\C=C\c1ccc(O)c(O)c1 QAIPRVGONGVQAS-DUXPYHPUSA-N trans-Caffeate trans-caffeate CHEBI:16433 trans-caffeic acid CHEBI:16433 An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. CHEBI:13748 CHEBI:22277 CHEBI:2539 Beilstein:635807 CAS:302-72-7 Gmelin:2449 KEGG:C01401 PMID:17439666 PMID:22264337 Reaxys:635807 Wikipedia:Alanine 2-aminopropanoic acid Alanine alanine chebi_ontology 2-Aminopropanoic acid 2-Aminopropionic acid 89.09322 A ALA Alanin C3H7NO2 CC(N)C(O)=O InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N alanina CHEBI:16449 alanine CHEBI:16449 An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia. CHEBI:14638 CHEBI:25469 CHEBI:44619 CHEBI:7472 Beilstein:1421310 CAS:91-20-3 Gmelin:3347 HMDB:HMDB29751 KEGG:C00829 KNApSAcK:C00001259 MetaCyc:NAPHTHALENE PDBeChem:NPY PMID:10814889 PMID:11202734 PMID:16220979 PMID:16699520 PMID:17850896 PMID:26875834 PMID:26895256 PMID:27439360 Reaxys:1421310 UM-BBD_compID:c0333 Wikipedia:Naphthalene NAPHTHALENE Naphthalene naphthalene chebi_ontology 128.17052 C10H8 InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H Naphthalen Naphthalin UFWIBTONFRDIAS-UHFFFAOYSA-N c1ccc2ccccc2c1 naftaleno naftalina naphtalene naphtaline CHEBI:16482 naphthalene CHEBI:16482 A triamine that is the 1,5,10-triaza derivative of decane. CHEBI:15095 CHEBI:15097 CHEBI:26732 CHEBI:26733 CHEBI:45647 CHEBI:9218 Beilstein:1698591 CAS:124-20-9 DrugBank:DB03566 Gmelin:454510 HMDB:HMDB01257 KEGG:C00315 KNApSAcK:C00001431 LINCS:LSM-37075 MetaCyc:SPERMIDINE PDBeChem:SPD PMID:22770225 Reaxys:1698591 Wikipedia:Spermidine N-(3-aminopropyl)butane-1,4-diamine SPERMIDINE Spermidine chebi_ontology 1,5,10-triazadecane 145.24598 4-azaoctamethylenediamine 4-azaoctane-1,8-diamine ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 N-(3-Aminopropyl)-1,4-butane-diamine NCCCCNCCCN Spermidin CHEBI:16610 spermidine CHEBI:16610 A methoxybenzoate that is the conjugate base of vanillic acid. CHEBI:15301 CHEBI:27277 CHEBI:46315 Beilstein:6504377 DrugBank:DB08711 KEGG:C06672 PDBeChem:VNL Reaxys:6504377 UM-BBD_compID:c0194 4-hydroxy-3-methoxybenzoate vanillate chebi_ontology 167.13878 4-HYDROXY-3-METHOXYBENZOATE C8H7O4 COc1cc(ccc1O)C([O-])=O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 WKOLLVMJNQIZCI-UHFFFAOYSA-M CHEBI:16632 vanillate CHEBI:16632 CHEBI:12898 CHEBI:22142 CHEBI:4085 KEGG:C04808 D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid D-abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid chebi_ontology 3,6-dideoxy-D-xylo-hexosyl-D-mannosyl-rhamnosyl-D-galactose 1-diphospholipid C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O)[C@H](O)C[C@H]1O InChI=1S/C79H132O24P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-104(90,91)103-105(92,93)102-79-72(89)75(68(85)66(49-81)98-79)101-77-70(87)69(86)73(62(14)96-77)99-78-71(88)74(67(84)65(48-80)97-78)100-76-64(83)47-63(82)61(13)95-76/h25,27,29,31,33,35,37,39,41,43,45,61-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t61-,62+,63-,64-,65-,66-,67-,68+,69+,70-,71+,72-,73+,74+,75+,76-,77+,78-,79-/m1/s1 PTVYOHQZLXNCIG-IXAGMXAFSA-N abequosyl-D-mannosyl-rhamnosyl-D-galactose 1-diphospholipid CHEBI:16640 D-abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid CHEBI:16640 Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. CHEBI:15131 CHEBI:23008 CHEBI:9318 Wikipedia:Carbohydrate carbohydrate carbohydrates chebi_ontology Kohlenhydrat Kohlenhydrate carbohidrato carbohidratos glucide glucides glucido glucidos hydrates de carbone saccharide saccharides saccharidum CHEBI:16646 carbohydrate CHEBI:16646 An optically active form of lactate having (S)-configuration. CHEBI:11065 CHEBI:12411 CHEBI:18783 Beilstein:4655977 Gmelin:324523 KEGG:C00186 MetaCyc:L-LACTATE Reaxys:4655977 UM-BBD_compID:c0152 (2S)-2-hydroxypropanoate (S)-lactate chebi_ontology (+)-lactate 89.07000 C3H5O3 C[C@H](O)C([O-])=O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1 JVTAAEKCZFNVCJ-REOHCLBHSA-M L(+)-lactate L-(+)-lactate L-lactate CHEBI:16651 (S)-lactate CHEBI:16651 A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated. CHEBI:14674 CHEBI:25603 CHEBI:7650 KEGG:C01117 Nucleoside 5'-phosphate chebi_ontology 196.09510 C5H9O6PR2 O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O nucleoside 5'-phosphates CHEBI:16701 nucleoside 5'-phosphate CHEBI:16701 A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond. CHEBI:15296 CHEBI:27227 CHEBI:46386 CHEBI:46391 CHEBI:46460 CHEBI:9893 Beilstein:754904 CAS:58-96-8 DrugBank:DB02745 ECMDB:ECMDB00296 Gmelin:397474 HMDB:HMDB00296 KEGG:C00299 KNApSAcK:C00019674 MetaCyc:URIDINE PDBeChem:URI PMID:12084455 PMID:15621516 PMID:16839635 PMID:17190852 PMID:22392515 PMID:22770225 Reaxys:754904 Wikipedia:Uridine YMDB:YMDB00127 URIDINE Uridine uridine chebi_ontology 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione 1-beta-D-ribofuranosyluracil 244.20146 C9H12N2O6 DRTQHJPVMGBUCF-XVFCMESISA-N InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O Urd Uridin beta-Uridine u CHEBI:16704 uridine CHEBI:16704 The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. CHEBI:13733 CHEBI:22236 CHEBI:2470 CHEBI:40579 Beilstein:608603 CAS:73-24-5 DrugBank:DB00173 Gmelin:3903 HMDB:HMDB00034 KEGG:C00147 KEGG:D00034 KNApSAcK:C00001490 MetaCyc:ADENINE PDBeChem:ADE PMID:17439666 PMID:8070089 Reaxys:608603 Wikipedia:Adenine 9H-purin-6-amine ADENINE Adenine adenine chebi_ontology 135.12690 6-Aminopurine A Ade Adenin C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) Nc1ncnc2[nH]cnc12 CHEBI:16708 adenine CHEBI:16708 A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. CHEBI:13876 CHEBI:22703 CHEBI:3025 CHEBI:41187 Beilstein:969212 CAS:71-43-2 Gmelin:1671 HMDB:HMDB01505 KEGG:C01407 PDBeChem:BNZ PMID:11684179 PMID:11993966 PMID:12857942 PMID:14677922 PMID:15468289 PMID:15935818 PMID:16161967 PMID:17373369 PMID:18072742 PMID:18407866 PMID:18409691 PMID:18836923 PMID:19228219 PMID:21325737 PMID:23088855 PMID:23222815 PMID:23534829 PMID:6353911 PMID:8124204 Reaxys:969212 UM-BBD_compID:c0142 Wikipedia:Benzene BENZENE Benzene benzene chebi_ontology 78.11184 Benzen Benzine Benzol Bicarburet of hydrogen C6H6 Coal naphtha InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H Mineral naphtha Phene Pyrobenzol Pyrobenzole UHOVQNZJYSORNB-UHFFFAOYSA-N [6]annulene benzole c1ccccc1 cyclohexatriene phenyl hydride CHEBI:16716 benzene CHEBI:16716 CHEBI:12909 CHEBI:13625 CHEBI:20906 CHEBI:4097 KEGG:C00405 D-alpha-amino acid D-alpha-amino acids chebi_ontology 74.05870 C2H4NO2R D-Amino acid D-alpha-amino acids N[C@H]([*])C(O)=O CHEBI:16733 D-alpha-amino acid CHEBI:16733 A furancarboxylate that is the conjugate base of 2-furoic acid. CHEBI:11577 CHEBI:19582 Beilstein:1366018 Gmelin:326316 KEGG:C01546 furan-2-carboxylate chebi_ontology 111.07610 C5H3O3 InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1 SMNDYUVBFMFKNZ-UHFFFAOYSA-M [O-]C(=O)c1ccco1 CHEBI:16739 2-furoate CHEBI:16739 A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase. CHEBI:13222 CHEBI:22244 CHEBI:2342 CHEBI:40553 Beilstein:67722 CAS:20398-34-9 CAS:58-64-0 COMe:MOL000173 DrugBank:DB03431 Gmelin:88452 KEGG:C00008 KEGG:G11113 KNApSAcK:C00019353 PDBeChem:ADP PMID:16295522 Reaxys:67722 ADP adenosine 5'-(trihydrogen diphosphate) chebi_ontology 427.20110 5'-adenylphosphoric acid ADENOSINE-5'-DIPHOSPHATE Adenosine 5'-diphosphate C10H15N5O10P2 H3adp InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O XTWYTFMLZFPYCI-KQYNXXCUSA-N CHEBI:16761 ADP CHEBI:16761 An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. CHEBI:15274 CHEBI:27161 CHEBI:46157 CHEBI:9767 Beilstein:125513 CAS:61-54-1 DrugBank:DB08653 Gmelin:603448 HMDB:HMDB00303 KEGG:C00398 KNApSAcK:C00001434 MetaCyc:TRYPTAMINE PDBeChem:TSS PMID:16126914 PMID:22770225 PMID:24345948 PMID:24558969 Reaxys:125513 Wikipedia:Tryptamine 2-(1H-indol-3-yl)ethanamine Tryptamine chebi_ontology 160.21570 1H-indole-3-ethanamine 2-(1H-INDOL-3-YL)ETHANAMINE 2-(3-indolyl)ethylamine 3-(2-Aminoethyl)indole APJYDQYYACXCRM-UHFFFAOYSA-N C10H12N2 InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 NCCc1c[nH]c2ccccc12 CHEBI:16765 tryptamine CHEBI:16765 A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. CHEBI:14577 CHEBI:25180 CHEBI:6730 Beilstein:205542 CAS:73-31-4 DrugBank:DB01065 HMDB:HMDB01389 KEGG:C01598 KEGG:D08170 LINCS:LSM-4779 MetaCyc:N-ACETYL-5-METHOXY-TRYPTAMINE PDBeChem:ML1 PMID:16678784 PMID:18212404 PMID:18485664 Reaxys:205542 Wikipedia:Melatonin Melatonin N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide melatonin chebi_ontology 232.27830 5-methoxy-N-acetyltryptamine C13H16N2O2 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 DRLFMBDRBRZALE-UHFFFAOYSA-N InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) N-Acetyl-5-methoxytryptamine N-[2-(5-methoxyindol-3-yl)ethyl]acetamide melatonine CHEBI:16796 melatonin CHEBI:16796 An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid. CHEBI:11638 CHEBI:19748 Beilstein:3664503 CAS:64-15-3 Gmelin:602479 KEGG:C00026 MetaCyc:2-KETOGLUTARATE PMID:11913971 PMID:15612731 PMID:17190852 PMID:19376872 PMID:21184277 PMID:21196226 PMID:21791173 Reaxys:3664503 2-oxopentanedioate chebi_ontology 144.08226 2-ketoglutarate 2-oxoglutarate 2-oxopentanedioic acid, ion(2-) C5H4O5 InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2 KPGXRSRHYNQIFN-UHFFFAOYSA-L [O-]C(=O)CCC(=O)C([O-])=O alpha-ketoglutarate CHEBI:16810 2-oxoglutarate(2-) CHEBI:16810 A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. CHEBI:14590 CHEBI:25229 CHEBI:6829 Beilstein:636185 CAS:59-51-8 Gmelin:3117 KEGG:C01733 KEGG:D04983 PMID:16702333 PMID:22264337 PMID:2543976 Reaxys:636185 UM-BBD_compID:c0094 Wikipedia:Methionine Methionine methionine chebi_ontology 149.21238 2-Amino-4-(methylthio)butyric acid 2-amino-4-(methylsulfanyl)butanoic acid 2-amino-4-(methylthio)butanoic acid C5H11NO2S CSCCC(N)C(O)=O DL-Methionine FFEARJCKVFRZRR-UHFFFAOYSA-N Hmet InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) M Met Methionin Racemethionine alpha-amino-gamma-methylmercaptobutyric acid metionina CHEBI:16811 methionine CHEBI:16811 An optically active form of threonine having L-configuration. CHEBI:13175 CHEBI:21403 CHEBI:42083 CHEBI:45843 CHEBI:45983 CHEBI:6308 Beilstein:1721646 CAS:72-19-5 DrugBank:DB00156 ECMDB:ECMDB00167 Gmelin:82510 HMDB:HMDB00167 KEGG:C00188 KEGG:D00041 KNApSAcK:C00001394 PDBeChem:THR PMID:11964235 PMID:12523390 PMID:16659349 PMID:17379183 PMID:22289691 PMID:22342587 PMID:22513921 PMID:22770225 PMID:24671569 Reaxys:1721646 UM-BBD_compID:c0413 Wikipedia:Threonine YMDB:YMDB00214 L-Threonine L-threonine chebi_ontology (2S)-threonine (2S,3R)-(-)-Threonine (2S,3R)-2-amino-3-hydroxybutanoic acid 119.11920 2-Amino-3-hydroxybutyric acid AYFVYJQAPQTCCC-GBXIJSLDSA-N C4H9NO3 C[C@@H](O)[C@H](N)C(O)=O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 L-(-)-Threonine L-2-Amino-3-hydroxybutyric acid L-Threonin L-alpha-amino-beta-hydroxybutyric acid T THREONINE Thr CHEBI:16857 L-threonine CHEBI:16857 CHEBI:13401 CHEBI:13662 CHEBI:14675 CHEBI:25606 CHEBI:7428 CHEBI:7652 KEGG:C00454 Nucleoside diphosphate chebi_ontology 293.08240 C5H11O10P2R NDP O[C@H]1[C@H]([*])O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H]1O nucleoside diphosphates CHEBI:16862 nucleoside diphosphate CHEBI:16862 A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. CHEBI:1786 CHEBI:193777 CHEBI:20318 CHEBI:40483 Beilstein:906818 CAS:56-12-2 DrugBank:DB02530 Gmelin:49775 HMDB:HMDB00112 KEGG:C00334 KEGG:D00058 KNApSAcK:C00001337 LIPID_MAPS_instance:LMFA01100039 MetaCyc:4-AMINO-BUTYRATE PDBeChem:ABU PMID:10630630 PMID:10930630 PMID:16276116 PMID:21614609 PMID:22770225 Reaxys:906818 Wikipedia:Gamma-Aminobutyric_acid 4-aminobutanoic acid gamma-Aminobutyric acid gamma-aminobutyric acid chebi_ontology 103.11980 4-Aminobutanoic acid 4-Aminobutyric acid 4-aminobutanoic acid 4-aminobutyric acid 4Abu BTCSSZJGUNDROE-UHFFFAOYSA-N C4H9NO2 GABA GAMMA-AMINO-BUTANOIC ACID InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) NCCCC(O)=O gamma-Aminobuttersaeure gamma-amino-n-butyric acid gamma-aminobutanoic acid omega-aminobutyric acid piperidic acid piperidinic acid CHEBI:16865 gamma-aminobutyric acid CHEBI:16865 A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. CHEBI:26597 CHEBI:45521 CHEBI:9006 Beilstein:774890 CAS:69-72-7 DrugBank:DB00936 Gmelin:3418 HMDB:HMDB01895 KEGG:C00805 KEGG:D00097 KNApSAcK:C00000206 LINCS:LSM-4763 MetaCyc:CPD-110 PDBeChem:SAL PMID:11016405 PMID:12865403 PMID:1650428 PMID:19400653 PMID:19816125 PMID:22770225 PMID:3425858 Reaxys:774890 Wikipedia:Salicylic_Acid 2-hydroxybenzoic acid Salicylic acid chebi_ontology 138.12070 2-HYDROXYBENZOIC ACID 2-carboxyphenol C7H6O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) OC(=O)c1ccccc1O YGSDEFSMJLZEOE-UHFFFAOYSA-N o-Hydroxybenzoic acid o-carboxyphenol o-hydroxybenzoic acid CHEBI:16914 salicylic acid CHEBI:16914 A trihydroxybenzoate that is the conjugate base of gallic acid. CHEBI:11686 CHEBI:14291 CHEBI:24178 Beilstein:3907457 Gmelin:328003 KEGG:C01424 MetaCyc:CPD-183 Reaxys:3907457 UM-BBD_compID:c0006 3,4,5-trihydroxybenzoate gallate chebi_ontology 169.11160 C7H5O5 InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/p-1 LNTHITQWFMADLM-UHFFFAOYSA-M Oc1cc(cc(O)c1O)C([O-])=O CHEBI:16918 gallate CHEBI:16918 A phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. CHEBI:14214 CHEBI:23942 CHEBI:42264 CHEBI:4825 Beilstein:2338604 CAS:57-87-4 DrugBank:DB04038 KEGG:C01694 KNApSAcK:C00003652 KNApSAcK:C00023755 LIPID_MAPS_instance:LMST01030093 PDBeChem:ERG Reaxys:2338604 (22E)-ergosta-5,7,22-trien-3beta-ol ERGOSTEROL Ergosterol ergosterol chebi_ontology (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol 396.64836 C28H44O DNVPQKQSNYMLRS-APGDWVJJSA-N InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 Provitamin D2 [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C CHEBI:16933 ergosterol CHEBI:16933 A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid. CHEBI:13999 CHEBI:23321 CHEBI:42563 Beilstein:1884707 CAS:126-44-3 Gmelin:4239 KEGG:C00158 PDBeChem:FLC Reaxys:1884707 2-hydroxypropane-1,2,3-tricarboxylate chebi_ontology 189.09970 2-hydroxy-1,2,3-propanetricarboxylate 2-hydroxy-1,2,3-propanetricarboxylate(3-) 2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-) 2-hydroxytricarballylate C6H5O7 CITRATE ANION InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3 KRKNYBCHXYNGOX-UHFFFAOYSA-K OC(CC([O-])=O)(CC([O-])=O)C([O-])=O cit cit(3-) citrate CHEBI:16947 citrate(3-) CHEBI:16947 A monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7. CHEBI:14296 CHEBI:24218 CHEBI:5327 CAS:141-27-5 CAS:5392-40-5 HMDB:HMDB35078 KEGG:C01499 KNApSAcK:C00003035 LIPID_MAPS_instance:LMPR0102010003 MetaCyc:GERANIAL PMID:23938144 PMID:24682420 Reaxys:1721873 (2E)-3,7-dimethylocta-2,6-dienal Geranial geranial chebi_ontology (E)-Citral (E)-Geranial 152.23340 C10H16O CC(C)=CCC\C(C)=C\C=O InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ WTEVQBCEXWBHNA-JXMROGBWSA-N alpha-Citral citral A lemonal neral trans-Citral CHEBI:16980 geranial CHEBI:16980 An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. CHEBI:25730 CHEBI:44583 CHEBI:7811 Beilstein:385686 CAS:144-62-7 DrugBank:DB03902 Gmelin:2208 HMDB:HMDB02329 KEGG:C00209 KNApSAcK:C00001198 LIPID_MAPS_instance:LMFA01170031 MetaCyc:OXALATE PDBeChem:OXD PMID:15587083 PMID:22735334 Reaxys:385686 Wikipedia:Oxalic_acid OXALIC ACID Oxalic acid oxalic acid chebi_ontology 90.03490 C2H2O4 Ethandisaeure Ethanedioic acid H2ox HOOCCOOH InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) MUBZPKHOEPUJKR-UHFFFAOYSA-N OC(=O)C(O)=O Oxalsaeure ethane-1,2-dioic acid CHEBI:16995 oxalic acid CHEBI:16995 The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. CHEBI:14899 CHEBI:8469 CAS:57-55-6 DrugBank:DB01839 HMDB:HMDB01881 KEGG:C00583 KEGG:D00078 KNApSAcK:C00007410 LINCS:LSM-36856 PMID:15665701 PMID:16078503 PMID:18346395 PMID:18845115 PMID:21616561 Reaxys:1340498 Wikipedia:Propylene_glycol Propane-1,2-diol propane-1,2-diol chebi_ontology 1,2-Propanediol 1,2-Propylenglykol 1,2-dihydroxypropane 2-hydroxypropanol 76.09442 C3H8O2 CC(O)CO CH3CH(OH)CH2OH DNIAPMSPPWPWGF-UHFFFAOYSA-N HOCH2CH(OH)CH3 HOCH2CH(OH)Me InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 MeCH(OH)CH2OH PPD Propylene glycol alpha-propyleneglycol isopropylene glycol methyl glycol methylethyl glycol methylethylene glycol monopropylene glycol CHEBI:16997 propane-1,2-diol CHEBI:16997 An isoquinoline alkaloid that has formula C19H19NO4. CAS:5890-28-8 KEGG:C09389 KNApSAcK:C00001834 (+)-Cassythicine chebi_ontology 325.359 C19H19NO4 COc1cc-2c(C[C@@H]3N(C)CCc4cc5OCOc5c-2c34)cc1O InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1 MPWZJVCAMFAIGV-ZDUSSCGKSA-N CHEBI:17 (+)-Cassythicine CHEBI:17 Cholesterol esterified at the 3-hydroxy group. CHEBI:13983 CHEBI:23205 CHEBI:3660 KEGG:C02530 Cholesterol ester chebi_ontology 413.65570 C28H45O2R [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC([*])=O)[C@H](C)CCCC(C)C a cholesterol ester cholesterol esters CHEBI:17002 cholesterol ester CHEBI:17002 An alpha-CH2-containing aldehyde that has formula C18H36O. CHEBI:14679 CHEBI:25628 CHEBI:7722 CAS:638-66-4 KEGG:C01838 LIPID_MAPS_instance:LMFA06000098 Octadecanal octadecanal stearaldehyde chebi_ontology 268.47784 C18H36O CCCCCCCCCCCCCCCCCC=O FWWQKRXKHIRPJY-UHFFFAOYSA-N InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3 CHEBI:17034 octadecanal CHEBI:17034 The L-enantiomer of aspartic acid. CHEBI:21247 CHEBI:40853 CHEBI:40900 CHEBI:40913 CHEBI:40942 CHEBI:6193 Beilstein:1723530 CAS:56-84-8 DrugBank:DB00128 ECMDB:ECMDB00191 Gmelin:3333 HMDB:HMDB00191 KEGG:C00049 KEGG:D00013 KNApSAcK:C00001342 MetaCyc:L-ASPARTATE PDBeChem:ASP PMID:11568288 PMID:21359215 PMID:22770225 Reaxys:1723530 YMDB:YMDB00896 (2S)-2-aminobutanedioic acid L-Aspartic acid L-aspartic acid chebi_ontology (S)-2-aminobutanedioic acid (S)-2-aminosuccinic acid 133.10270 2-Aminosuccinic acid ASPARTIC ACID Asp C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N D InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 L-Asparaginsaeure N[C@@H](CC(O)=O)C(O)=O CHEBI:17053 L-aspartic acid CHEBI:17053 A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). CHEBI:13427 CHEBI:13646 CHEBI:24974 CHEBI:6127 CHEBI:8742 KEGG:C01450 Wikipedia:Ketone Ketone ketones chebi_ontology COR2 Keton R-CO-R' [*]C([*])=O a ketone cetone ketones CHEBI:17087 ketone CHEBI:17087 The meso-diastereomer of butane-1,2,3,4-tetrol. CHEBI:14215 CHEBI:23946 CHEBI:372804 CHEBI:44263 CHEBI:4840 Beilstein:1719753 CAS:149-32-6 DrugBank:DB04481 Gmelin:82499 HMDB:HMDB02994 KEGG:C00503 KNApSAcK:C00001161 MetaCyc:ERYTHRITOL PDBeChem:MRY PMID:12639570 PMID:163226 PMID:16901854 PMID:17336832 PMID:17979222 PMID:18369603 PMID:19632091 PMID:22770225 PMID:23421980 PMID:23574577 PMID:23890177 PMID:9862657 Reaxys:1735878 Wikipedia:Erythritol Erythritol erythritol meso-erythritol chebi_ontology (2R,3S)-butane-1,2,3,4-tetrol 122.11980 C4H10O4 Erythrit Erythrite Erythrol InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ L-erythritol MESO-ERYTHRITOL OC[C@H](O)[C@H](O)CO Phycite Phycitol UNXHWFMMPAWVPI-ZXZARUISSA-N erythro-tetritol mesoerythritol CHEBI:17113 erythritol CHEBI:17113 A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). CHEBI:14398 CHEBI:24569 Beilstein:3601453 CAS:151-33-7 ECMDB:ECMDB21229 Gmelin:326340 KEGG:C01585 MetaCyc:HEXANOATE hexanoate chebi_ontology 1-hexanoate 1-pentacarboxylate 1-pentanecarboxylate 115.15034 C6H11O2 CCCCCC([O-])=O CH3-[CH2]4-COO(-) FUZZWVXGSFPDMH-UHFFFAOYSA-M InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1 butylacetate caproate capronate hexoate hexylate n-caproate n-hexanoate n-hexoate n-hexylate nPnCO2 anion pentanecarboxylate pentylformate CHEBI:17120 hexanoate CHEBI:17120 A fatty alcohol with a chain length of C13 or greater. CHEBI:14527 CHEBI:6524 CHEBI:73312 KEGG:C00339 PMID:19155068 PMID:22436224 PMID:22444994 chebi_ontology 17.00730 HOR Long-chain alcohol O[*] a long chain fatty alcohol long chain fatty alcohol long chain fatty alcohols long-chain alcohols long-chain fatty alcohols CHEBI:17135 long-chain fatty alcohol CHEBI:17135 An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. CHEBI:13875 CHEBI:22697 CHEBI:3019 CAS:100-52-7 HMDB:HMDB06115 KEGG:C00193 KEGG:C00261 KEGG:D02314 MetaCyc:BENZALDEHYDE PDBeChem:HBX PMID:11943806 PMID:12692643 PMID:12738275 PMID:12746108 PMID:1388821 PMID:15087594 PMID:15658857 PMID:16248550 PMID:16508147 PMID:16557466 PMID:18348134 PMID:20733068 PMID:20878540 PMID:21035797 PMID:21538605 PMID:21773601 PMID:21828928 PMID:23263855 Reaxys:471223 UM-BBD_compID:c0279 Wikipedia:Benzaldehyde Benzaldehyde benzaldehyde chebi_ontology 106.12190 Artificial almond oil Benzanoaldehyde Benzene carbaldehyde Benzene carboxaldehyde Benzenecarbonal Benzenecarboxaldehyde Benzenemethylal Benzoic acid aldehyde Benzoic aldehyde Benzylaldehyde C7H6O Ethereal oil of bitter almonds HUMNYLRZRPPJDN-UHFFFAOYSA-N InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H O=Cc1ccccc1 Phenylformaldehyde Phenylmethanal Synthetic oil of bitter almond CHEBI:17169 benzaldehyde CHEBI:17169 A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). CHEBI:13996 CHEBI:23254 CHEBI:23255 CHEBI:3714 Beilstein:1903999 CAS:104-54-1 Gmelin:27238 HMDB:HMDB29697 KEGG:C02394 KNApSAcK:C00042390 MetaCyc:CINNAMYL-ALC PMID:23421457 PMID:24190481 Reaxys:1903999 Wikipedia:Cinnamyl_alcohol 3-phenylprop-2-en-1-ol Cinnamyl alcohol cinnamyl alcohol chebi_ontology 134.17510 3-Phenyl-2-propen-1-ol 3-phenyl-2-propen-1-ol C9H10O InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2 OCC=Cc1ccccc1 OOCCDEMITAIZTP-UHFFFAOYSA-N Styrylcarbinol Zimtalcohol CHEBI:17177 cinnamyl alcohol CHEBI:17177 CHEBI:14839 CHEBI:26134 CHEBI:8215 KEGG:C06077 Pinene chebi_ontology C10H16 CHEBI:17187 pinene CHEBI:17187 CHEBI:14676 CHEBI:25607 CHEBI:7439 CHEBI:7653 CHEBI:7654 KEGG:C01329 KEGG:C02520 chebi_ontology C5H10O7PR NMP Nucleoside monophosphate Nucleoside phosphate O[C@H]1[C@H]([*])O[C@H](COP(O)(O)=O)[C@H]1O nucleoside monophosphate nucleoside monophosphates CHEBI:17188 nucleoside 5'-monophosphate CHEBI:17188 A morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. CHEBI:15062 CHEBI:26598 CHEBI:9015 Beilstein:1630083 Beilstein:4788633 CAS:1936-18-1 KEGG:C05179 KNApSAcK:C00001916 PMID:17226487 PMID:17611928 Reaxys:1630083 Wikipedia:Salutaridine 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one Salutaridine chebi_ontology 327.37438 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one C19H21NO4 COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O GVTRUVGBZQJVTF-YJYMSZOUSA-N InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1 Sinoacutine CHEBI:17225 salutaridine CHEBI:17225 An aldohexose used as a source of energy and metabolic intermediate. CHEBI:14313 CHEBI:24277 CHEBI:33929 CHEBI:5418 CAS:50-99-7 KEGG:C00293 Wikipedia:Glucose Glucose gluco-hexose glucose chebi_ontology 180.15588 C6H12O6 DL-glucose Glc Glukose CHEBI:17234 glucose CHEBI:17234 The 7H-tautomer of purine. CHEBI:14968 CHEBI:8639 Beilstein:3200 Gmelin:601779 HMDB:HMDB01366 KEGG:C15587 Reaxys:3200 7H-purine chebi_ontology 120.11222 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Purine Purine base c1ncc2[nH]cnc2n1 purine CHEBI:17258 7H-purine CHEBI:17258 An inositol having myo- configuration. CHEBI:10601 CHEBI:12826 CHEBI:12831 CHEBI:25451 CHEBI:43559 Beilstein:1907329 CAS:87-89-8 DrugBank:DB03106 Gmelin:82918 HMDB:HMDB00211 KEGG:C00137 KEGG:D08079 KNApSAcK:C00001164 MetaCyc:MYO-INOSITOL PDBeChem:INS PMID:11034685 PMID:11244303 PMID:11323092 PMID:11772411 PMID:12478879 PMID:12832083 PMID:14583919 PMID:14681857 PMID:15181167 PMID:15295080 PMID:15558078 PMID:16410747 PMID:1694860 PMID:17439666 PMID:17722064 PMID:18650262 PMID:18854045 PMID:19097871 PMID:19383710 PMID:22285975 PMID:22461977 PMID:22517104 PMID:838172 Reaxys:1907329 Wikipedia:Inositol myo-Inositol myo-inositol chebi_ontology (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE 1,2,3,5/4,6-cyclohexanehexol 180.15588 1D-myo-Inositol 1L-myo-Inositol Bios I C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N Cyclohexitol D-myo-Inositol Dambose InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- Inositol Ins L-myo-Inositol Meat sugar Myoinositol O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O cis-1,2,3,5-trans-4,6-cyclohexanehexol i-inositol inosite meso-Inositol CHEBI:17268 myo-inositol CHEBI:17268 The conjugate base of propionic acid; a key precursor in lipid biosynthesis. CHEBI:14903 CHEBI:26290 Beilstein:3587503 CAS:72-03-7 Gmelin:1820 KEGG:C00163 PMID:17951291 PMID:18375549 PMID:2647392 UM-BBD_compID:c0277 propanoate propionate chebi_ontology 73.07060 C3H5O2 CCC([O-])=O CH3-CH2-COO(-) EtCO2 anion InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1 XBDQKXXYIPTUBI-UHFFFAOYSA-M carboxylatoethane ethanecarboxylate ethylformate metacetonate methylacetate propanate propanoate propanoic acid, ion(1-) pseudoacetate CHEBI:17272 propionate CHEBI:17272 Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan. CHEBI:14741 CHEBI:26180 CHEBI:7946 CAS:9000-69-5 HMDB:HMDB03402 KEGG:C00714 KEGG:D02316 KEGG:G10591 MetaCyc:PECTATE PMID:17930085 PMID:24751282 PMID:24798790 PMID:7960137 Reaxys:8539058 Wikipedia:Pectin Pectin chebi_ontology H2O(C6H8O6)n Pektin Pektine Poly(1,4-alpha-D-galacturonide) pectic substance pectina pectinas pectine pectines pectins poly[(1->4)-alpha-D-GalpA] CHEBI:17309 pectin CHEBI:17309 A retinol in which all four exocyclic double bonds have E- (trans-) geometry. CHEBI:12783 CHEBI:22349 CHEBI:8816 Beilstein:403040 CAS:11103-57-4 CAS:68-26-8 DrugBank:DB00162 Gmelin:247497 KEGG:C00473 KEGG:C17276 KEGG:D00069 KEGG:D06543 LIPID_MAPS_instance:LMPR01090000 LIPID_MAPS_instance:LMPR01090001 PDBeChem:RTL Wikipedia:Vitamin_A all-trans-Retinol all-trans-retinol chebi_ontology (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol 286.45160 Alphalin C20H30O CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO Chocola A FPIPGXGPPPQFEQ-OVSJKPMPSA-N InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ Retinol Vitamin A Vitamin A1 all-trans-retinyl alcohol all-trans-vitamin A alcohol CHEBI:17336 all-trans-retinol CHEBI:17336 An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. CHEBI:25047 CHEBI:42395 CHEBI:6479 Beilstein:1727101 CAS:60-33-3 Gmelin:57557 HMDB:HMDB00673 KEGG:C01595 KNApSAcK:C00001224 LIPID_MAPS_instance:LMFA01030120 MetaCyc:LINOLEIC_ACID PDBeChem:EIC PMID:11113630 PMID:11304127 PMID:11322990 PMID:14667063 PMID:14993245 PMID:15115315 PMID:15642793 PMID:15969511 PMID:16254037 PMID:16563718 PMID:17647039 PMID:18044828 PMID:18990554 PMID:19628674 PMID:19936816 PMID:23900039 PMID:24081493 PMID:6205897 Reaxys:1727101 Wikipedia:Linoleic_acid (9Z,12Z)-octadeca-9,12-dienoic acid LINOLEIC ACID Linoleic acid chebi_ontology (9Z,12Z)-Octadecadienoic acid (Z,Z)-9,12-octadecadienoic acid 280.44550 9-cis,12-cis-Octadecadienoic acid 9Z,12Z-octadecadienoic acid C18:2 9c, 12c omega6 todos cis-9,12-octadienoico C18:2, n-6,9 all-cis C18H32O2 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- LA OYHQOLUKZRVURQ-HZJYTTRNSA-N acide cis-linoleique acide linoleique acido linoleico all-cis-9,12-octadecadienoic acid cis,cis-9,12-octadecadienoic acid cis,cis-linoleic acid cis-Delta(9,12)-octadecadienoic acid linolic acid CHEBI:17351 linoleic acid CHEBI:17351 The D-enantiomer of aspartic acid. CHEBI:20920 CHEBI:4108 Beilstein:1723529 CAS:1783-96-6 DrugBank:DB02655 Gmelin:602084 HMDB:HMDB06483 KEGG:C00402 MetaCyc:CPD-302 PDBeChem:DAS PMID:11419736 PMID:17118457 PMID:17407322 PMID:18318836 PMID:19860889 Reaxys:1723529 (2R)-2-aminobutanedioic acid D-Aspartic acid D-aspartic acid chebi_ontology (R)-2-aminobutanedioic acid (R)-2-aminosuccinic acid 133.10270 C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N D-Asparaginsaeure DAS InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 N[C@H](CC(O)=O)C(O)=O aspartic acid D-form CHEBI:17364 D-aspartic acid CHEBI:17364 A sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond. CHEBI:14062 CHEBI:23513 CHEBI:4052 Beilstein:1728091 CAS:923-32-0 Gmelin:83347 KEGG:C01420 PMID:18608550 PMID:24327171 PMID:24525029 PMID:24525030 Reaxys:1728091 Wikipedia:Cystine 3,3'-disulfanediylbis(2-aminopropanoic acid) Cystine cystine chebi_ontology 240.30256 3,3'-dithiobis(2-aminopropanoic acid) C6H12N2O4S2 Cystin Dicysteine InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12) LEVWYRKDKASIDU-UHFFFAOYSA-N NC(CSSCC(N)C(O)=O)C(O)=O Zystin alpha-Diamino-beta-dithiolactic acid cistina CHEBI:17376 cystine CHEBI:17376 A 5-hydroxyfurocoumarin that has formula C11H6O4. CHEBI:12136 CHEBI:13894 CHEBI:22755 CHEBI:22756 CHEBI:3068 CAS:486-60-2 KEGG:C00758 KNApSAcK:C00000581 4-hydroxy-7H-furo[3,2-g]chromen-7-one Bergaptol chebi_ontology 202.16294 5-Hydroxyfuranocoumarin 5-Hydroxypsoralen C11H6O4 GIJHDGJRTUSBJR-UHFFFAOYSA-N InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H Oc1c2ccoc2cc2oc(=O)ccc12 CHEBI:17377 bergaptol CHEBI:17377 A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. CHEBI:14297 CHEBI:24219 CHEBI:5329 Beilstein:1722456 CAS:106-24-1 Gmelin:185248 KEGG:C01500 KNApSAcK:C00000845 LIPID_MAPS_instance:LMPR0102010016 PMID:18824010 PMID:20573166 PMID:23102596 PMID:23108028 PMID:23168261 PMID:23200656 PMID:23399806 PMID:23415329 PMID:23499697 PMID:23510343 Wikipedia:Geraniol (2E)-3,7-dimethylocta-2,6-dien-1-ol Geraniol geraniol chebi_ontology (2E)-3,7-dimethyl-2,6-octadien-1-ol (E)-3,7-dimethyl-2,6-octadien-1-ol (E)-geraniol (E)-nerol 154.24932 2-trans-3,7-Dimethyl-2,6-octadien-1-ol 3,7-dimethyl-trans-2,6-octadien-1-ol C10H18O CC(C)=CCC\C(C)=C\CO GLZPCOQZEFWAFX-JXMROGBWSA-N InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ geranyl alcohol lemonol t-geraniol trans-3,7-dimethyl-2,6-octadien-1-ol trans-geraniol CHEBI:17447 geraniol CHEBI:17447 A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. CHEBI:13432 CHEBI:13753 CHEBI:13805 CHEBI:13806 CHEBI:22291 CHEBI:2554 CHEBI:8750 KEGG:C00071 Aldehyde aldehyde aldehydes chebi_ontology 29.01800 Aldehyd CHOR RC(=O)H RCHO [H]C([*])=O aldehido aldehidos aldehydes aldehydum an aldehyde CHEBI:17478 aldehyde CHEBI:17478 A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. CHEBI:15067 CHEBI:210840 CHEBI:26611 CHEBI:9057 CAS:92-61-5 KEGG:C01752 KNApSAcK:C00002499 LINCS:LSM-6694 PMID:20686865 PMID:21078410 PMID:21163341 PMID:21383663 PMID:21417386 PMID:21544717 PMID:21598418 PMID:21604276 PMID:21605187 PMID:21657075 PMID:21751840 Reaxys:156296 7-hydroxy-6-methoxy-2H-chromen-2-one Scopoletin scopoletin chebi_ontology 192.16810 6-Methoxy-7-hydroxycoumarin 6-Methylesculetin 6-O-Methylesculetin 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one 7-hydroxy-6-methoxycoumarin C10H8O4 COc1cc2ccc(=O)oc2cc1O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N CHEBI:17488 scopoletin CHEBI:17488 The (-)-enantiomer of quinic acid. CHEBI:26492 CHEBI:8715 Beilstein:2212412 CAS:77-95-2 HMDB:HMDB03072 KEGG:C00296 KNApSAcK:C00001201 MetaCyc:QUINATE PDBeChem:QIC PMID:15589483 PMID:22770225 Reaxys:2212412 Wikipedia:Quinic_acid (-)-Quinic acid (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 1L-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid chebi_ontology 192.16658 AAWZDTNXLSGCEK-WYWMIBKRSA-N C7H12O6 Chinic acid D-Quinic acid InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1 Kinic acid L-Quinic acid O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O Quinic acid CHEBI:17521 (-)-quinic acid CHEBI:17521 A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group). CHEBI:13754 CHEBI:22298 CHEBI:2556 KEGG:C00717 Wikipedia:Glycerin Alditol chebi_ontology (CH2O)nC2H6O2 Glycitol Sugar alcohol alditols CHEBI:17522 alditol CHEBI:17522 The carbon oxoanion resulting from the removal of a proton from carbonic acid. CHEBI:13363 CHEBI:22863 CHEBI:40961 CHEBI:5589 Beilstein:3903504 CAS:71-52-3 Gmelin:49249 HMDB:HMDB00595 KEGG:C00288 PDBeChem:BCT Hydrogencarbonate hydrogen(trioxidocarbonate)(1-) hydrogencarbonate hydrogencarbonate(1-) hydrogentrioxocarbonate(1-) hydrogentrioxocarbonate(IV) hydroxidodioxidocarbonate(1-) chebi_ontology 61.01684 Acid carbonate BICARBONATE ION BVKZGUZCCUSVTD-UHFFFAOYSA-M Bicarbonate CHO3 HCO3(-) HCO3- InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 OC([O-])=O [CO2(OH)](-) CHEBI:17544 hydrogencarbonate CHEBI:17544 A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. CHEBI:132834 CHEBI:14996 CHEBI:26485 CHEBI:8705 CAS:522-12-3 HMDB:HMDB33751 KEGG:C01750 KNApSAcK:C00005374 LIPID_MAPS_instance:LMPK12112171 MetaCyc:QUERCITRIN PMID:10963295 PMID:11714358 PMID:11816040 PMID:12008093 PMID:15388977 PMID:15725651 PMID:16806328 PMID:17366733 PMID:19928818 PMID:21834636 PMID:22327179 PMID:22379948 PMID:23138875 PMID:23291772 Reaxys:68135 Wikipedia:Quercitrin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside Quercitrin chebi_ontology 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside 3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 448.37690 C21H20O11 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 OXGUCUVFOIWWQJ-HQBVPOQASA-N Quercetin 3-L-rhamnoside Quercetin 3-O-alpha-L-rhamnopyranoside Quercetin 3-O-rhamnoside Quercimelin Quercitronic acid Quercitroside luteolin 6-deoxy-alpha-L-mannopyranoside quercetin 3-O-alpha-L-rhamnopyranoside quercetin-3-L-rhamnoside CHEBI:17558 quercitrin CHEBI:17558 A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid. CHEBI:14831 CHEBI:26090 Beilstein:3906509 CAS:3198-29-6 Gmelin:3530 KEGG:C01606 Reaxys:3906509 UM-BBD_compID:c0181 benzene-1,2-dicarboxylate chebi_ontology 1,2-benzenedicarboxylate 164.11496 C8H4O4 InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2 XNGIFLGASWRNHJ-UHFFFAOYSA-L [O-]C(=O)c1ccccc1C([O-])=O phthalate CHEBI:17563 phthalate(2-) CHEBI:17563 A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. CHEBI:15288 CHEBI:27210 CHEBI:46375 CHEBI:9882 Beilstein:606623 CAS:66-22-8 DrugBank:DB03419 Gmelin:2896 HMDB:HMDB00300 KEGG:C00106 KEGG:D00027 KNApSAcK:C00001513 MetaCyc:URACIL PDBeChem:URA PMID:11279060 PMID:12855717 PMID:15274295 PMID:16834123 PMID:17439666 PMID:18533995 PMID:18815805 PMID:19175333 PMID:22020693 PMID:22074393 PMID:22120518 PMID:22171528 PMID:22237209 PMID:22299724 PMID:22356544 PMID:22447672 PMID:22483865 PMID:22567906 PMID:22685418 PMID:3654008 Reaxys:606623 Wikipedia:Uracil URACIL Uracil pyrimidine-2,4(1H,3H)-dione uracil chebi_ontology 112.08684 2,4(1H,3H)-pyrimidinedione 2,4-Dioxopyrimidine 2,4-Pyrimidinedione C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) O=c1cc[nH]c(=O)[nH]1 U Ura Urazil CHEBI:17568 uracil CHEBI:17568 The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. CHEBI:15248 CHEBI:27022 CHEBI:44023 CHEBI:9624 Beilstein:635760 CAS:108-88-3 DrugBank:DB01900 Gmelin:2456 KEGG:C01455 PDBeChem:MBN PMID:11182169 PMID:11314682 PMID:11846266 PMID:11991009 PMID:12062755 PMID:12213539 PMID:12237258 PMID:12784113 PMID:12876426 PMID:14512097 PMID:14559343 PMID:14605898 PMID:15015825 PMID:15019953 PMID:15119846 PMID:15193425 PMID:15542760 PMID:15567510 PMID:15695158 PMID:15796064 PMID:16316648 PMID:16348226 PMID:16601996 PMID:17145141 PMID:17175136 PMID:17497535 PMID:17725881 PMID:18397809 PMID:18832024 PMID:19261054 PMID:19384711 PMID:19429395 PMID:19635754 PMID:19765629 PMID:19825861 PMID:19928203 PMID:19969016 PMID:20347282 PMID:20837561 PMID:21430649 PMID:21655021 PMID:21731073 PMID:21802510 PMID:21840036 Reaxys:635760 UM-BBD_compID:c0114 Wikipedia:Toluene TOLUENE Toluene toluene chebi_ontology 92.13842 C7H8 Cc1ccccc1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 Toluen Toluol YXFVVABEGXRONW-UHFFFAOYSA-N methylbenzene phenylmethane CHEBI:17578 toluene CHEBI:17578 A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. CHEBI:10355 CHEBI:12392 CHEBI:22834 CHEBI:40987 Beilstein:1917416 CAS:7235-40-7 COMe:MOL000093 HMDB:HMDB00561 KEGG:C02094 KEGG:D03101 KNApSAcK:C00000919 LIPID_MAPS_instance:LMPR01070000 LIPID_MAPS_instance:LMPR01070001 MetaCyc:CPD1F-129 PDBeChem:BCR PMID:11171227 PMID:11182771 PMID:11332447 PMID:11359610 PMID:11382814 PMID:11567548 PMID:11677037 PMID:11714348 PMID:11962062 PMID:12081834 PMID:12891827 PMID:14658721 PMID:14764912 PMID:14976384 PMID:14997360 PMID:15113067 PMID:15333155 PMID:15695449 PMID:15789045 PMID:15909543 PMID:15949680 PMID:15949683 PMID:16036331 PMID:16087476 PMID:16338959 PMID:16563447 PMID:17004738 PMID:17625873 PMID:17708644 PMID:17851775 PMID:18429004 PMID:18766464 PMID:18767554 PMID:18794175 PMID:19480350 PMID:19574250 PMID:19669835 PMID:19703237 PMID:19852884 PMID:19888275 PMID:19896667 PMID:19937581 PMID:20074992 PMID:20515074 PMID:22079732 PMID:22309480 PMID:22428124 PMID:22489215 PMID:22534340 PMID:22575730 Reaxys:1917416 Wikipedia:Beta_Carotene BETA-CAROTENE beta,beta-carotene beta-Carotene chebi_ontology 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene) 536.87264 C40H56 CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ OENHQHLEOONYIE-JLTXGRSLSA-N all-trans-beta-carotene beta-Karotin CHEBI:17579 beta-carotene CHEBI:17579 A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. CHEBI:11712 CHEBI:1417 CHEBI:19917 Beilstein:1362385 CAS:78-70-6 Gmelin:406448 HMDB:HMDB36100 KEGG:C03985 KNApSAcK:C00003047 LIPID_MAPS_instance:LMPR0102010004 PMID:18695915 PMID:24570447 PMID:24758511 Reaxys:1362385 Wikipedia:Linalool 3,7-dimethylocta-1,6-dien-3-ol Linalool linalool chebi_ontology 154.24930 2,6-dimethylocta-2,7-dien-6-ol 3,7-Dimethylocta-1,6-dien-3-ol C10H18O CC(C)=CCCC(C)(O)C=C CDOSHBSSFJOMGT-UHFFFAOYSA-N InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 beta-linalool linalyl alcohol CHEBI:17580 linalool CHEBI:17580 Any D-aldose having a chain of six carbon atoms in the molecule. CHEBI:12990 CHEBI:21038 D-aldohexose chebi_ontology C6H12O6 D-aldohexoses CHEBI:17608 D-aldohexose CHEBI:17608 A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. CHEBI:14260 CHEBI:24030 CHEBI:42445 CHEBI:5046 CAS:1135-24-6 CAS:537-98-4 HMDB:HMDB00954 KEGG:C01494 KNApSAcK:C00002743 MetaCyc:FERULIC-ACID PDBeChem:FER PMID:11041377 PMID:11982438 PMID:12529986 PMID:15162367 PMID:15309442 PMID:16011737 PMID:16185284 PMID:18582080 PMID:18651237 PMID:18707110 PMID:18795822 PMID:19594750 PMID:8821508 Reaxys:1570363 Wikipedia:Ferulic_Acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid Ferulic acid chebi_ontology (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (E)-4'-hydroxy-3'-methoxycinnamic acid (E)-4-Hydroxy-3-methoxycinnamic acid (E)-Ferulic acid 194.18400 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-methoxy-4-hydroxy-trans-cinnamic acid 4-Hydroxy-3-methoxycinnamic acid 4-hydroxy-3-methoxycinnamic acid C10H10O4 COc1cc(\C=C\C(O)=O)ccc1O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulic acid CHEBI:17620 ferulic acid CHEBI:17620 A glucose with D-configuration. CHEBI:12965 CHEBI:20999 CAS:50-99-7 D-gluco-hexose D-glucose chebi_ontology 180.15588 C6H12O6 D(+)-glucose D-(+)-glucose Traubenzucker dextrose grape sugar CHEBI:17634 D-glucose CHEBI:17634 CHEBI:15046 CHEBI:26557 CHEBI:8845 KEGG:C03723 Ribonucleoside diphosphate ribonucleoside diphosphate chebi_ontology 293.083 C5H11O10P2R ribonucleoside diphosphates CHEBI:17668 ribonucleoside diphosphate CHEBI:17668 A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. CHEBI:14016 CHEBI:14017 CHEBI:23371 CHEBI:3858 CHEBI:4730 Beilstein:2048963 CAS:458-35-5 KEGG:C00590 KNApSAcK:C00000614 PMID:11430982 PMID:11684179 PMID:20336005 PMID:22920542 PMID:23131896 PMID:23159486 PMID:23188459 PMID:23448127 PMID:23624856 PMID:23633600 PMID:23876147 PMID:6660881 Reaxys:2048963 Wikipedia:Coniferyl_alcohol 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol Coniferol chebi_ontology (E)-coniferol 180.20048 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol 4-(3-hydroxy-1-propenyl)-2-methoxyphenol 4-[(1E)-3-hydroxy-1-propenyl]-2-methoxyphenol C10H12O3 COc1cc(\C=C\CO)ccc1O Coniferyl alcohol InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ JMFRWRFFLBVWSI-NSCUHMNNSA-N CHEBI:17745 coniferol CHEBI:17745 The amino acid betaine derived from glycine. CHEBI:13895 CHEBI:15264 CHEBI:22858 CHEBI:24370 CHEBI:27128 CHEBI:3073 Beilstein:3537113 CAS:107-43-7 Gmelin:26434 HMDB:HMDB00043 KEGG:C00719 KEGG:D07523 KNApSAcK:C00007291 MetaCyc:BETAINE PDBeChem:BET PMID:16197300 PMID:18326594 PMID:20346934 PMID:20446114 PMID:20642826 PMID:22770225 Reaxys:3537113 Wikipedia:Trimethylglycine YMDB:YMDB01516 (trimethylammonio)acetate Glycine betaine chebi_ontology (trimethylammoniumyl)acetate 1-carboxy-N,N,N-trimethylmethanaminium inner salt 117.14638 2-N,N,N-trimethylammonio acetate Bet Betaine C5H11NO2 C[N+](C)(C)CC([O-])=O InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N N,N,N-Trimethylglycine N,N,N-trimethylammonioacetate Trimethylaminoacetate Trimethylammonioacetate abromine acidol betaine trimethylglycine trimethylglycocoll CHEBI:17750 glycine betaine CHEBI:17750 The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. CHEBI:14588 CHEBI:25227 CHEBI:44080 CHEBI:44553 CHEBI:6816 Beilstein:1098229 CAS:67-56-1 Gmelin:449 HMDB:HMDB01875 KEGG:C00132 KEGG:D02309 MetaCyc:METOH PDBeChem:MOH PMID:11141607 PMID:11430978 PMID:11489599 PMID:11680737 PMID:11684179 PMID:14012711 PMID:14678513 PMID:14760634 PMID:15172721 PMID:15906011 PMID:16705261 PMID:17451998 PMID:17733096 PMID:19064074 PMID:19850112 PMID:20314698 Reaxys:1098229 UM-BBD_compID:c0132 Wikipedia:Methanol METHANOL Methanol methanol chebi_ontology 32.04186 CH3OH CH4O CO InChI=1S/CH4O/c1-2/h2H,1H3 MeOH Methyl alcohol Methylalkohol OKKJLVBELUTLKV-UHFFFAOYSA-N carbinol spirit of wood wood alcohol wood naphtha wood spirit CHEBI:17790 methanol CHEBI:17790 An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. CHEBI:15081 CHEBI:26648 CHEBI:9116 Beilstein:1721402 CAS:302-84-1 Gmelin:26429 KEGG:C00716 KNApSAcK:C00001393 Reaxys:1721402 Wikipedia:Serine Serine serine chebi_ontology 105.09262 2-Amino-3-hydroxypropionic acid 2-amino-3-hydroxypropanoic acid 3-Hydroxyalanine C3H7NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N NC(CO)C(O)=O Serin CHEBI:17822 serine CHEBI:17822 The (S)-enantiomer of naringenin. CHEBI:14640 CHEBI:25484 CHEBI:25488 CHEBI:44288 CHEBI:7483 CAS:480-41-1 DrugBank:DB03467 HMDB:HMDB02670 KEGG:C00509 KNApSAcK:C00000982 LIPID_MAPS_instance:LMPK12140001 MetaCyc:NARINGENIN-CMPD PDBeChem:NAR PMID:11093936 PMID:17664077 Reaxys:90699 Wikipedia:Naringenin (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one (S)-naringenin chebi_ontology (-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (-)-(2S)-Naringenin (-)-(2S)-naringenin (2S)-Naringenin (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 272.25280 4',5,7-Trihydroxyflavanone 4',5,7-trihydroxyflavanone C15H12O5 FTVWIRXFELQLPI-ZDUSSCGKSA-N InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 NARINGENIN Naringenin Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 naringetol pelargidanon salipurpol CHEBI:17846 (S)-naringenin CHEBI:17846 An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. CHEBI:24330 CHEBI:43097 CHEBI:5434 Beilstein:1209725 CAS:110-94-1 DrugBank:DB03553 Gmelin:26809 HMDB:HMDB00661 KEGG:C00489 KNApSAcK:C00001184 LIPID_MAPS_instance:LMFA01170046 PDBeChem:GUA PMID:24297153 PMID:24587932 PMID:24900967 Reaxys:1209725 Wikipedia:Glutaric_acid GLUTARIC ACID Glutaric acid pentanedioic acid chebi_ontology 1,3-Propanedicarboxylic acid 1,5-pentanedioic acid 132.11462 C5H8O4 Glutarsaeure InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) JFCQEDHGNNZCLN-UHFFFAOYSA-N OC(=O)CCCC(O)=O Pentanedioic acid CHEBI:17859 glutaric acid CHEBI:17859 A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity. CHEBI:14202 CHEBI:4697 KEGG:C01351 Donor donor chebi_ontology Donator donneur CHEBI:17891 donor CHEBI:17891 A retinal in which all four exocyclic double bonds have E- (trans-) geometry. CHEBI:12776 CHEBI:22348 CHEBI:8814 CAS:116-31-4 HMDB:HMDB01358 KEGG:C00376 LIPID_MAPS_instance:LMPR01090002 MetaCyc:RETINAL PDBeChem:RET PMID:12168520 PMID:15500295 PMID:15686550 PMID:15724104 PMID:16054134 PMID:16128572 PMID:17326003 PMID:21447403 PMID:21995425 PMID:22162152 PMID:22198730 PMID:22220722 PMID:22417174 PMID:22428905 PMID:22431612 PMID:22515697 PMID:22529810 PMID:22559266 PMID:22621924 PMID:22841964 PMID:22879987 Wikipedia:Retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal all-trans-Retinal all-trans-retinal chebi_ontology 284.43572 C20H28O InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ NCYCYZXNIZJOKI-OVSJKPMPSA-N Retinal Retinene Vitamin A aldehyde [H]C(=O)\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C all-trans-Retinene all-trans-Vitamin A aldehyde all-trans-retinaldehyde retinaldehyde CHEBI:17898 all-trans-retinal CHEBI:17898 A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2. CHEBI:26142 Beilstein:112883 Beilstein:81095 CAS:535-75-1 ECMDB:ECMDB21385 Gmelin:68953 HMDB:HMDB00070 PMID:22770225 Reaxys:81095 Wikipedia:Pipecolic_acid YMDB:YMDB01675 piperidine-2-carboxylic acid chebi_ontology 129.15700 2-piperidinecarboxylic acid C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) OC(=O)C1CCCCN1 homoproline pipecolinic acid CHEBI:17964 pipecolic acid CHEBI:17964 A flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position. CHEBI:14471 CHEBI:24905 CHEBI:6034 CAS:4261-42-1 KEGG:C01821 KNApSAcK:C00001055 LIPID_MAPS_instance:LMPK12110469 PMID:21080643 PMID:22529049 PMID:22948221 PMID:22980875 PMID:23026832 PMID:23220614 Reaxys:68256 Wikipedia:Isoorientin (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol Isoorientin chebi_ontology 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one 448.37690 C21H20O11 Homoorientin InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 Luteolin-6-C-beta-D-glucoside OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 ODBRNZZJSYPIDI-VJXVFPJBSA-N CHEBI:17965 isoorientin CHEBI:17965 A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. CHEBI:13924 CHEBI:22946 Beilstein:3601060 CAS:461-55-2 Gmelin:324289 KEGG:C00246 MetaCyc:BUTYRIC_ACID PMID:17190852 PMID:7496326 Reaxys:3601060 UM-BBD_compID:c0035 butanoate butyrate chebi_ontology 1-butanoate 1-butyrate 1-propanecarboxylate 87.09718 C4H7O2 CCCC([O-])=O CH3-[CH2]2-COO(-) FERIUCNNQQJTOY-UHFFFAOYSA-M InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 butanate butanoate butanoic acid, ion(1-) n-butanoate n-butyrate propanecarboxylate propylformate CHEBI:17968 butyrate CHEBI:17968 A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid. CHEBI:13727 CHEBI:13802 CHEBI:22223 CHEBI:2455 CAS:9029-97-4 KEGG:C00040 PMID:11264983 PMID:11524729 PMID:16495773 PMID:21514367 PMID:21541677 Acyl-CoA chebi_ontology 794.53600 Acyl coenzyme A C22H35N7O17P3SR CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O CHEBI:17984 acyl-CoA CHEBI:17984 An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. CHEBI:13888 CHEBI:22742 CHEBI:3053 Beilstein:878307 CAS:100-51-6 Gmelin:26514 HMDB:HMDB03119 KEGG:C00556 KEGG:C03485 KEGG:D00077 KNApSAcK:C00029811 MetaCyc:BENZYL-ALCOHOL PMID:11766131 PMID:21557223 PMID:22036973 Reaxys:878307 UM-BBD_compID:c0278 Wikipedia:Benzyl_Alcohol Benzyl alcohol benzyl alcohol phenylmethanol chebi_ontology (hydroxymethyl)benzene 108.13782 Aromatic alcohol Benzenemethanol Benzylalkohol C7H8O Hydroxymethylbenzene InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 OCc1ccccc1 Phenylcarbinol Phenylmethanol WVDDGKGOMKODPV-UHFFFAOYSA-N alcoholum benzylicum alcool benzylique alpha-Hydroxytoluene alpha-toluenol benzenecarbinol benzylic alcohol phenylmethyl alcohol CHEBI:17987 benzyl alcohol CHEBI:17987 An iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). CHEBI:15070 CHEBI:18500 CHEBI:45549 CHEBI:9076 Beilstein:1441446 CAS:19351-63-4 KEGG:C01852 KNApSAcK:C00003098 LIPID_MAPS_instance:LMPR0102070002 MetaCyc:SECOLOGANIN-CPD PDBeChem:SCG PMID:24104568 PMID:26285573 Reaxys:1441446 Wikipedia:Secologanin (-)-Secologanin methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate chebi_ontology 3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-2H-pyran-5-carboxylic acid, methyl ester 388.367 C17H24O10 CSKKDSFETGLMSB-NRZPKYKESA-N InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1 METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE Secologanin [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)O[C@H]2[C@@H]([C@@H](C(=CO2)C(OC)=O)CC=O)C=C methyl (2S,3R,4S)-4-(formylmethyl)-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-vinyl-2H-pyran-5-carboxylate secologanin CHEBI:18002 (-)-secologanin CHEBI:18002 A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. CHEBI:24124 CHEBI:42743 CHEBI:5190 Beilstein:605763 CAS:110-17-8 Gmelin:49855 HMDB:HMDB00134 KEGG:C00122 KEGG:D02308 KNApSAcK:C00001183 MetaCyc:FUM PDBeChem:FUM PMID:17439666 PMID:21414846 PMID:22113915 PMID:22217732 PMID:22516248 Reaxys:605763 Wikipedia:Fumaric_Acid (2E)-but-2-enedioic acid FUMARIC ACID Fumaric acid chebi_ontology (2E)-2-butenedioic acid (E)-2-butenedioic acid 116.07220 C4H4O4 E297 Fumarsaeure InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ OC(=O)\C=C\C(O)=O VZCYOOQTPOCHFL-OWOJBTEDSA-N trans-1,2-ethylenedicarboxylic acid trans-Butenedioic acid trans-but-2-enedioic acid CHEBI:18012 fumaric acid CHEBI:18012 A monocarboxylic acid anion that has formula C16H23O10. CHEBI:14524 CHEBI:25067 KEGG:C01512 (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate chebi_ontology 375.34782 C16H23O10 InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/p-1/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1 JNNGEAWILNVFFD-CDJYTOATSA-M [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C([O-])=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CHEBI:18052 loganate CHEBI:18052 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. CHEBI:14517 CHEBI:25054 CHEBI:6486 KEGG:C01356 Lipid lipids chebi_ontology CHEBI:18059 lipid CHEBI:18059 A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. CHEBI:14279 CHEBI:18194 CHEBI:24086 CHEBI:5146 Beilstein:1288158 CAS:485-72-3 HMDB:HMDB05808 KEGG:C00858 KNApSAcK:C00002525 LINCS:LSM-19000 LIPID_MAPS_instance:LMPK12050037 MetaCyc:FORMONONETIN PMID:16108819 PMID:24023812 Reaxys:237979 Wikipedia:Formononetin 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one Formononetin chebi_ontology 268.26410 4'-O-methyldaidzein 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one 7-Hydroxy-4'-methoxyisoflavone 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one C16H12O4 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O HKQYGTCOTHHOMP-UHFFFAOYSA-N InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 biochanin B formononetol CHEBI:18088 formononetin CHEBI:18088 Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose). CHEBI:14399 CHEBI:24590 CHEBI:5709 KEGG:C00738 Hexose hexose chebi_ontology hexoses CHEBI:18133 hexose CHEBI:18133 A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. CHEBI:135158 CHEBI:13950 CHEBI:23054 CHEBI:3467 CHEBI:41441 Beilstein:471401 CAS:120-80-9 CAS:12385-08-9 DrugBank:DB02232 Gmelin:2936 HMDB:HMDB00957 KEGG:C00090 KEGG:C01785 KEGG:C15571 KNApSAcK:C00002644 MetaCyc:CATECHOL PDBeChem:CAQ PMID:10651166 PMID:11470755 PMID:15951152 PMID:16610220 Reaxys:471401 UM-BBD_compID:c0097 Wikipedia:Catechol Catechol benzene-1,2-diol catechol chebi_ontology 1,2-Benzenediol 1,2-Dihydroxybenzene 110.11064 2-hydroxyphenol Brenzcatechin C6H6O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H Oc1ccccc1O Pyrocatechol YCIMNLLNPGFGHC-UHFFFAOYSA-N alpha-hydroxyphenol o-Benzenediol o-hydroxyphenol pyrocatechin CHEBI:18135 catechol CHEBI:18135 A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. CHEBI:14864 CHEBI:26205 CHEBI:8322 KEGG:C00420 Polysaccharide polysaccharide polysaccharides chebi_ontology Glycan Glycane Glykan Glykane glycans polisacarido polisacaridos CHEBI:18154 polysaccharide CHEBI:18154 A simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. CHEBI:14467 CHEBI:24892 CHEBI:6013 Beilstein:157731 CAS:574-12-9 Gmelin:1224833 KEGG:C00799 LIPID_MAPS_instance:LMPK12050000 Reaxys:157731 3-phenyl-4H-chromen-4-one Isoflavone chebi_ontology 222.23870 3-Phenylchromone 3-phenyl-4H-1-benzopyran-4-one C15H10O2 GOMNOOKGLZYEJT-UHFFFAOYSA-N InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H Isoflavon O=c1c(coc2ccccc12)-c1ccccc1 CHEBI:18220 isoflavone CHEBI:18220 An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. CHEBI:24314 CHEBI:5431 Beilstein:1723799 CAS:617-65-2 Gmelin:101971 KEGG:C00302 KEGG:D04341 KNApSAcK:C00001358 KNApSAcK:C00019577 PMID:15739367 PMID:17190852 PMID:24616376 PMID:24984001 Reaxys:1723799 Wikipedia:Glutamic_acid 2-aminopentanedioic acid Glutamic acid glutamic acid chebi_ontology 147.12930 2-Aminoglutaric acid C5H9NO4 DL-Glutamic acid DL-Glutaminic acid E Glu Glutamate Glutaminic acid Glutaminsaeure InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) NC(CCC(O)=O)C(O)=O WHUUTDBJXJRKMK-UHFFFAOYSA-N CHEBI:18237 glutamic acid CHEBI:18237 An iron group element atom that has atomic number 26. CHEBI:13322 CHEBI:24872 CHEBI:5974 CAS:7439-89-6 DrugBank:DB01592 HMDB:HMDB15531 KEGG:C00023 Reaxys:4122945 WebElements:Fe iron chebi_ontology 26Fe 55.84500 Eisen Fe InChI=1S/Fe Iron XEEYBQQBJWHFJM-UHFFFAOYSA-N [Fe] fer ferrum hierro iron CHEBI:18248 iron atom CHEBI:18248 Any nucleoside where the sugar component is D-ribose. CHEBI:13014 CHEBI:13015 CHEBI:13685 CHEBI:21085 CHEBI:26560 CHEBI:4240 CHEBI:8844 KEGG:C00911 Ribonucleoside chebi_ontology C5H9O4R OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O a ribonucleoside ribonucleosides CHEBI:18254 ribonucleoside CHEBI:18254 A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. CHEBI:14187 CHEBI:23863 Beilstein:3588839 Gmelin:333430 KEGG:C02679 MetaCyc:DODECANOATE Reaxys:3588839 dodecanoate chebi_ontology 1-undecanecarboxylate 199.310 C(CCCCCCCC)CCC([O-])=O C12 fatty acid anion C12H23O2 CH3-[CH2]10-COO(-) InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1 POULHZVOKOAJMA-UHFFFAOYSA-M dodecoate dodecylate duodecyclate duodecylate laurate laurostearate n-dodecanoate undecane-1-carboxylate vulvate CHEBI:18262 dodecanoate CHEBI:18262 That part of DNA or RNA that may be involved in pairing. CHEBI:13873 CHEBI:25598 CHEBI:2995 KEGG:C00701 Wikipedia:Nucleobase chebi_ontology Base a nucleobase nucleobases CHEBI:18282 nucleobase CHEBI:18282 A manganese group element atom that has formula Mn. CHEBI:13382 CHEBI:25153 CHEBI:6681 CAS:7439-96-5 KEGG:C00034 WebElements:Mn manganese chebi_ontology 25Mn 54.93805 InChI=1S/Mn Mangan Manganese Mn PWHULOQIROXLJO-UHFFFAOYSA-N [Mn] manganese manganeso manganum CHEBI:18291 manganese atom CHEBI:18291 A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. CHEBI:14401 CHEBI:24596 CHEBI:43187 CHEBI:817 Beilstein:2012 CAS:51-45-6 Gmelin:2968 HMDB:HMDB00870 KEGG:C00388 KEGG:D08040 KNApSAcK:C00001414 MetaCyc:HISTAMINE PDBeChem:HSM PMID:16399866 PMID:19547708 PMID:19843401 PMID:22770225 PMID:24101735 Reaxys:2012 Wikipedia:Histamine 2-(1H-imidazol-4-yl)ethanamine HISTAMINE Histamine chebi_ontology 111.14518 1H-Imidazole-4-ethanamine 2-(4-Imidazolyl)ethylamine C5H9N3 InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NCCc1c[nH]cn1 NTYJJOPFIAHURM-UHFFFAOYSA-N CHEBI:18295 histamine CHEBI:18295 An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. CHEBI:13435 CHEBI:22317 CHEBI:2576 KEGG:C01371 Alkane alkane alkanes chebi_ontology Alkan CH3R C[*] RH alcane alcanes alcano alcanos an alkane CHEBI:18310 alkane CHEBI:18310 A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6. CHEBI:14482 CHEBI:22806 CHEBI:2771 Beilstein:66651 CAS:29702-25-8 CAS:38953-85-4 KEGG:C01714 KNApSAcK:C00001059 LIPID_MAPS_instance:LMPK12110338 MetaCyc:ISOVITEXIN PMID:16142640 PMID:22475010 PMID:22683902 PMID:23057589 Reaxys:66651 Wikipedia:Isovitexin (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol Isovitexin chebi_ontology 432.37750 6-C-Glucosylapigenin 6-Glucosylapigenin Apigenin 6-C-glucoside Apigenin-6-C-glucoside C21H20O10 InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 MYXNWGACZJSMBT-VJXVFPJBSA-N OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Saponaretin beta-D-isovitexin CHEBI:18330 isovitexin CHEBI:18330 A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. CHEBI:15302 CHEBI:1842 CHEBI:20380 CHEBI:48387 Beilstein:472792 CAS:121-33-5 Gmelin:3596 KEGG:C00755 KEGG:D00091 KNApSAcK:C00002683 KNApSAcK:C00029531 PDBeChem:V55 UM-BBD_compID:c0193 Wikipedia:Vanillin 4-hydroxy-3-methoxybenzaldehyde Vanillin vanillin chebi_ontology 152.14730 3-methoxy-4-hydroxybenzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-formyl-2-methoxyphenol 4-hydroxy-3-methoxybenzaldehyde 4-hydroxy-m-anisaldehyde C8H8O3 InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N Vanillaldehyde [H]C(=O)c1ccc(O)c(OC)c1 methylprotocatechuic aldehyde p-hydroxy-m-methoxybenzaldehyde p-vanillin vaniline vanillaldehyde vanillic aldehyde CHEBI:18346 vanillin CHEBI:18346 A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. CHEBI:10068 CHEBI:101063 CHEBI:12268 CHEBI:12715 CHEBI:21960 CHEBI:27330 CHEBI:27331 CHEBI:40342 Beilstein:196453 CAS:298-81-7 DrugBank:DB00553 HMDB:HMDB14693 KEGG:C01864 KEGG:D00139 KNApSAcK:C00000576 LINCS:LSM-3410 PDBeChem:8MO PMID:15009205 PMID:7945434 Patent:US2889337 Reaxys:196453 Wikipedia:Methoxsalen 9-methoxy-7H-furo[3,2-g]chromen-7-one METHOXSALEN Methoxsalen chebi_ontology 216.18950 6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone 8-MOP 8-MP 8-Methoxyfuranocoumarin 8-Methoxypsoralen 8-methoxy-2',3',6,7-furocoumarin 8-methoxy-4',5':6,7-furocoumarin 8-methoxy-[furano-3'.2':6.7-coumarin] 8-methoxypsoralen 9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one C12H8O4 COc1c2occc2cc2ccc(=O)oc12 InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 Meladinine Meloxine O-Methylxanthotoxol O-methylxanthotoxol Oxsoralen QXKHYNVANLEOEG-UHFFFAOYSA-N Ultra Mop Uvadex Xanthotoxin xanthotoxin CHEBI:18358 methoxsalen CHEBI:18358 A phosphate ion that is the conjugate base of hydrogenphosphate. CHEBI:14791 CHEBI:45024 CHEBI:7793 Beilstein:3903772 CAS:14265-44-2 Gmelin:1997 KEGG:C00009 PDBeChem:PO4 Reaxys:3903772 phosphate tetraoxidophosphate(3-) tetraoxophosphate(3-) tetraoxophosphate(V) chebi_ontology 94.97136 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 NBIIXXVUZAFLBC-UHFFFAOYSA-K O4P Orthophosphate PHOSPHATE ION PO4(3-) Phosphate [O-]P([O-])([O-])=O [PO4](3-) CHEBI:18367 phosphate(3-) CHEBI:18367 A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. CHEBI:12084 CHEBI:22588 CHEBI:2768 Beilstein:262620 CAS:520-36-5 HMDB:HMDB02124 KEGG:C01477 KNApSAcK:C00003817 LINCS:LSM-5206 LIPID_MAPS_instance:LMPK12110005 MetaCyc:CPD-431 PDBeChem:AGI PMID:23304222 PMID:23344191 PMID:23354402 PMID:23359392 Reaxys:262620 Wikipedia:Apigenin 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one Apigenin chebi_ontology 2-(p-hydroxyphenyl)-5,7-dihydroxychromone 270.23690 4',5,7-Trihydroxyflavone 5,7,4'-Trihydroxyflavone 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C.I. Natural Yellow 1 C15H10O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 chamomile spigenin versulin CHEBI:18388 apigenin CHEBI:18388 A monocarboxylic acid anion that is the conjugate base of phenylacetic acid. CHEBI:14779 CHEBI:25975 Beilstein:3539899 Gmelin:327522 MetaCyc:PHENYLACETATE Reaxys:3539899 UM-BBD_compID:c0211 phenylacetate chebi_ontology 135.13998 2-phenylethanoate C8H7O2 InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1 WLJVXDMOQOGPHL-UHFFFAOYSA-M [O-]C(=O)Cc1ccccc1 phenylacetate anion phenylacetate(1-) phenylacetic acid anion CHEBI:18401 phenylacetate CHEBI:18401 A magnesium cation that has formula Mg. CHEBI:13379 CHEBI:25112 CHEBI:49736 CHEBI:6635 CAS:22537-22-0 Gmelin:6857 KEGG:C00305 PDBeChem:MG magnesium cation magnesium(2+) magnesium(2+) ion magnesium(II) cation chebi_ontology 24.30500 InChI=1S/Mg/q+2 JLVVSXFLKOJNIY-UHFFFAOYSA-N MAGNESIUM ION Mg Mg(2+) Mg2+ [Mg++] magnesium, doubly charged positive ion magnesium, ion (Mg(2+)) CHEBI:18420 magnesium(2+) CHEBI:18420 A phenol substituted at position 4 by a 2-hydroxyethyl group. CAS:501-94-0 KEGG:C06044 PMID:21162532 PMID:21381678 Reaxys:1859884 Wikipedia:Tyrosol 4-(2-hydroxyethyl)phenol chebi_ontology 138.16380 4-Hydroxybenzeneethanol 4-Hydroxyphenylethanol C8H10O2 InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 OCCc1ccc(O)cc1 Tyrosol YCCILVSKPBXVIP-UHFFFAOYSA-N p-Hydroxyphenethyl alcohol tyrosol CHEBI:1879 2-(4-hydroxyphenyl)ethanol CHEBI:1879 A lactone having a six-membered lactone ring. delta-lactone chebi_ontology 1,5-lactone 1,5-lactones delta-lactona delta-lactonas delta-lactones CHEBI:18946 delta-lactone CHEBI:18946 A hexenal having the double bond at the 2-position. CAS:505-57-7 PMID:20736172 PMID:20936263 Reaxys:1740988 hex-2-enal chebi_ontology 2-hexenaldehyde 3-propyl-acrolein 98.14300 C6H10O InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3 MBDOYVRWFFCFHM-UHFFFAOYSA-N [H]C(=O)C([H])=C([H])CCC alpha,beta-hexylenaldehyde alpha.beta-Hexylenaldehyd beta-propylacrolein hexen-2-al hexen-2-en-1-al hexylenic aldehyde leaf aldehyde CHEBI:19591 2-hexenal CHEBI:19591 A hexenal carrying an unsaturation at position 3. CAS:4440-65-7 Reaxys:1739452 hex-3-enal chebi_ontology 98.14300 C6H10O CCC=CCC=O GXANMBISFKBPEX-UHFFFAOYSA-N InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3 CHEBI:20030 3-hexenal CHEBI:20030 A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. Beilstein:773861 CAS:300-85-6 HMDB:HMDB00357 LIPID_MAPS_instance:LMFA01050005 PMID:10855969 PMID:17190852 PMID:17579249 PMID:6061736 Reaxys:773861 Wikipedia:3-hydroxybutyrate 3-hydroxybutanoic acid chebi_ontology (1)-3-Hydroxybutyric acid 104.10452 3 HBA 3-Hydroxybuttersaeure 3-OH-butyric acid BHBA C4H8O3 CC(O)CC(O)=O DL-beta-Hydroxybutyric acid InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N beta-Hydroxy-n-butyric acid beta-Hydroxybuttersaeure beta-hydroxy-n-butyric acid beta-hydroxybutanoic acid beta-hydroxybutyric acid CHEBI:20067 3-hydroxybutyric acid CHEBI:20067 Any compound having 6-aminopurine (adenine) as part of its structure. PMID:1646334 PMID:18524423 PMID:7342604 6-aminopurines chebi_ontology CHEBI:20706 6-aminopurines CHEBI:20706 A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a carbon atom, thus creating a C-C bond. chebi_ontology C-glycoside C-glycosides C-glycosyl compounds CHEBI:20857 C-glycosyl compound CHEBI:20857 CHEBI:4143 D-galactoside chebi_ontology D-galactosides CHEBI:20961 D-galactoside CHEBI:20961 A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond. glycosylamine chebi_ontology N-glycoside N-glycosides N-glycosyl compounds glycosylamines CHEBI:21731 N-glycosyl compound CHEBI:21731 A substance used to destroy pests of the subclass Acari (mites and ticks). Wikipedia:Acaricide chebi_ontology Akarizid Akarizide acaricides miticide CHEBI:22153 acaricide CHEBI:22153 Compounds with the general formula RNHC(=O)CH3. chebi_ontology CHEBI:22160 acetamides CHEBI:22160 A tricarboxylic acid trianion that is the conjugate base of aconitic acid. Gmelin:364851 prop-1-ene-1,2,3-tricarboxylate chebi_ontology 171.08442 C6H3O6 GTZCVFVGUGFEME-UHFFFAOYSA-K InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3 [O-]C(=O)CC(=CC([O-])=O)C([O-])=O CHEBI:22210 aconitate(3-) CHEBI:22210 A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3. Beilstein:1725828 CAS:499-12-7 Gmelin:185280 PMID:24702026 PMID:24710945 PMID:25011271 Reaxys:1725828 Wikipedia:Aconitic_acid prop-1-ene-1,2,3-tricarboxylic acid chebi_ontology 1-propene-1,2,3-tricarboxylic acid 174.10824 3-carboxy-2-pentenedioic acid C6H6O6 GTZCVFVGUGFEME-UHFFFAOYSA-N InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) OC(=O)CC(=CC(O)=O)C(O)=O achilleic acid citridic acid equisetic acid CHEBI:22211 aconitic acid CHEBI:22211 An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids. acyl group alkanoyl chebi_ontology acyl groups alkanoyl group groupe acyle CHEBI:22221 acyl group CHEBI:22221 chebi_ontology adenosine bisphosphates CHEBI:22251 adenosine bisphosphate CHEBI:22251 chebi_ontology adenosine phosphates CHEBI:22256 adenosine phosphate CHEBI:22256 chebi_ontology CHEBI:22260 adenosines CHEBI:22260 chebi_ontology aldarate aldarates aldaric acid anions CHEBI:22289 aldaric acid anion CHEBI:22289 Dicarboxylic acids formed from aldoses by replacement of both terminal groups (CHO and CH2OH) by carboxy groups. aldaric acid chebi_ontology aldaric acids CHEBI:22290 aldaric acid CHEBI:22290 alkaline earth metals chebi_ontology Erdalkalimetall Erdalkalimetalle alkaline earth metal alkaline-earth metal alkaline-earth metals metal alcalino-terreux metal alcalinoterreo metales alcalinoterreos metaux alcalino-terreux CHEBI:22313 alkaline earth metal atom CHEBI:22313 alkali metals chebi_ontology Alkalimetall Alkalimetalle alkali metal metal alcalin metal alcalino metales alcalinos metaux alcalins CHEBI:22314 alkali metal atom CHEBI:22314 Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids. Wikipedia:Alkaloid Alkaloid alkaloids chebi_ontology Alkaloide alcaloide alcaloides CHEBI:22315 alkaloid CHEBI:22315 A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom. alkyl group alkyl groups chebi_ontology groupe alkyle grupo alquilo grupos alquilo CHEBI:22323 alkyl group CHEBI:22323 A terpineol that is propan-2-ol substituted by a 4-methylcyclohex-3-en-1-yl group at position 2. Beilstein:1906604 CAS:98-55-5 Gmelin:406992 HMDB:HMDB04043 KEGG:C16772 KNApSAcK:C00029674 PMID:16356517 Reaxys:1906604 UM-BBD_compID:c0669 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol alpha-terpineol p-menth-1-en-8-ol chebi_ontology 1-alpha-terpineol 1-menthene-8-ol 1-methyl-4-isopropyl-1-cyclohexen-8-ol 1-methyl-4-isopropyl-1-cyclohexene-8-ol 154.24932 2-(4-methyl-3-cyclohexenyl)-2-propanol C10H18O CC1=CCC(CC1)C(C)(C)O InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 WUOACPNHFRMFPN-UHFFFAOYSA-N alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol CHEBI:22469 alpha-terpineol CHEBI:22469 Any purine having at least one amino substituent. chebi_ontology aminopurines CHEBI:22527 aminopurine CHEBI:22527 A monoatomic or polyatomic species having one or more elementary charges of the electron. Anion anion chebi_ontology Anionen aniones anions CHEBI:22563 anion CHEBI:22563 chebi_ontology anthracenequinones anthraquinones CHEBI:22580 anthraquinone CHEBI:22580 A substance that prevents pests from feeding. chebi_ontology antifeedants CHEBI:22583 antifeedant CHEBI:22583 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. chebi_ontology antioxidants antioxydant antoxidant CHEBI:22586 antioxidant CHEBI:22586 A substance that destroys or inhibits replication of viruses. chebi_ontology anti-viral agent anti-viral agents antiviral antiviral agents antivirals CHEBI:22587 antiviral agent CHEBI:22587 CHEBI:33943 CAS:147-81-9 HMDB:HMDB29942 Wikipedia:Arabinose arabino-pentose arabinose chebi_ontology 150.12990 Ara C5H10O5 CHEBI:22599 arabinose CHEBI:22599 arabinoside chebi_ontology arabinosides CHEBI:22601 arabinoside CHEBI:22601 A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system. chebi_ontology arenecarboxamides CHEBI:22645 arenecarboxamide CHEBI:22645 An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class. PMID:4386082 PMID:4394351 PMID:4721772 PMID:5016260 PMID:5074276 chebi_ontology aspartate family amino acids aspartic acid family amino acid aspartic acid family amino acids oxaloacetate family amino acid oxaloacetate family amino acids oxaloacetate/aspartate family amino acid oxaloacetate/aspartate family amino acids CHEBI:22658 aspartate family amino acid CHEBI:22658 An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent Beilstein:774618 CAS:617-45-8 Gmelin:185140 KEGG:C16433 PMID:22264337 Reaxys:774618 Wikipedia:Aspartic_acid Aspartic acid aspartic acid chebi_ontology (+-)-Aspartic acid (R,S)-Aspartic acid 133.10272 2-aminobutanedioic acid Asp C4H7NO4 CKLJMWTZIZZHCS-UHFFFAOYSA-N D DL-Aminosuccinic acid DL-Asparagic acid InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) NC(CC(O)=O)C(O)=O CHEBI:22660 aspartic acid CHEBI:22660 Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow"). Wikipedia:Auxin chebi_ontology auxins CHEBI:22676 auxin CHEBI:22676 A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). KEGG:C00701 Base base chebi_ontology Base1 Base2 Basen Nucleobase bases CHEBI:22695 base CHEBI:22695 Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof. chebi_ontology CHEBI:22698 benzaldehydes CHEBI:22698 chebi_ontology CHEBI:22702 benzamides CHEBI:22702 Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. chebi_ontology CHEBI:22712 benzenes CHEBI:22712 A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid. chebi_ontology benzoate anion CHEBI:22718 benzoates CHEBI:22718 Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. chebi_ontology CHEBI:22723 benzoic acids CHEBI:22723 Wikipedia:Benzopyran chebi_ontology benzopyrans CHEBI:22727 benzopyran CHEBI:22727 chebi_ontology benzopyrroles CHEBI:22728 benzopyrrole CHEBI:22728 Compounds containing a phenylmethanol skeleton. chebi_ontology benzylic alcohol benzylic alcohols CHEBI:22743 benzyl alcohols CHEBI:22743 benzyl chebi_ontology 91.13048 Bn C6H5-CH2- C7H7 phenylalanine side-chain phenylmethyl CHEBI:22744 benzyl group CHEBI:22744 Any isoquinoline alkaloid based on a benzylisoquinoline skeleton. chebi_ontology benzylisoquinoline alkaloids CHEBI:22750 benzylisoquinoline alkaloid CHEBI:22750 CHEBI:10400 beta-D-glucoside chebi_ontology beta-D-glucosides CHEBI:22798 beta-D-glucoside CHEBI:22798 Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries three methyl substituents. chebi_ontology amino acid betaines amino-acid betaines betaines CHEBI:22860 amino-acid betaine CHEBI:22860 chebi_ontology bornane monoterpenoids CHEBI:22912 bornane monoterpenoid CHEBI:22912 boron molecular entity chebi_ontology boron compounds boron molecular entities CHEBI:22916 boron molecular entity CHEBI:22916 An insecticide compound naturally occurring in plants. chebi_ontology botanical insecticide botanical insecticides phytogenic insecticides CHEBI:22917 phytogenic insecticide CHEBI:22917 Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents chebi_ontology branched chain amino acids CHEBI:22918 branched-chain amino acid CHEBI:22918 Any gamma-lactone having the lactone moiety derived from 4-hydroxybutanoic acid. chebi_ontology butan-4-olides butanolide CHEBI:22950 butan-4-olide CHEBI:22950 A C4-dicarboxylic acid that has formula C4H4O4. Beilstein:8132074 but-2-enedioic acid chebi_ontology 116.07216 2-butenedioic acid C4H4O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N [H]C(=C([H])C(O)=O)C(O)=O CHEBI:22958 butenedioic acid CHEBI:22958 Any sesquiterpene having a cadinane skeleton containing one or more C=C bonds. Wikipedia:Cadinene chebi_ontology cadinenes CHEBI:22976 cadinene CHEBI:22976 An alkaline earth metal atom that has formula Ca. CAS:7440-70-2 DrugBank:DB01373 KEGG:C00076 WebElements:Ca calcium chebi_ontology 20Ca 40.07800 Ca Calcium InChI=1S/Ca Kalzium OYPRJOBELJOOCE-UHFFFAOYSA-N [Ca] calcio calcium CHEBI:22984 calcium atom CHEBI:22984 calcium molecular entity chebi_ontology calcium compounds calcium molecular entities CHEBI:22985 calcium molecular entity CHEBI:22985 The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid. PMID:24168430 carbamoyl chebi_ontology -C(O)NH2 -CONH2 44.03272 CH2NO aminocarbonyl carbamyl carbamyl group carboxamide CHEBI:23004 carbamoyl group CHEBI:23004 Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. chebi_ontology CHEBI:23016 carbonates CHEBI:23016 carbonyl carbonyl group chebi_ontology 28.01010 >C=O CO CHEBI:23019 carbonyl group CHEBI:23019 Hydrocarbon carotenoids. carotene carotenes chebi_ontology carotenes CHEBI:23042 carotene CHEBI:23042 One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded. CAS:36-88-4 carotenoid chebi_ontology a carotenoid carotenes and carotenoids carotenoids CHEBI:23044 carotenoid CHEBI:23044 chebi_ontology carotenols hydroxycarotenoids CHEBI:23045 carotenol CHEBI:23045 Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives. KEGG:C17590 LINCS:LSM-1682 catechin chebi_ontology (+/-)-Catechin catechins CHEBI:23053 catechin CHEBI:23053 A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof. chebi_ontology CHEBI:23217 cholines CHEBI:23217 chebi_ontology CHEBI:23232 chromenes CHEBI:23232 chebi_ontology cineoles CHEBI:23243 cineole CHEBI:23243 A member of the class of cinnamates that results from the deprotonation of the carboxy group of cinnamic acid. Beilstein:3904519 CAS:4151-45-5 Gmelin:328657 3-phenylprop-2-enoate chebi_ontology 147.15068 3-phenyl-2-propenoate 3-phenyl-2-propenoic acid, ion(1-) 3-phenylacrylate C9H7O2 InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/p-1 WBYWAXJHAXSJNI-UHFFFAOYSA-M [H]C(=Cc1ccccc1)C([O-])=O cinnamic acid, ion(1-) CHEBI:23248 cinnamate CHEBI:23248 Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives. chebi_ontology CHEBI:23252 cinnamic acids CHEBI:23252 The cis-isomer of 3-hexenal. AGR:IND20511481 AGR:IND44685237 AGR:IND44686640 CAS:6789-80-6 HMDB:HMDB31498 KEGG:C16310 KNApSAcK:C00000353 LIPID_MAPS_instance:LMFA06000110 PMID:14732275 Patent:US4241098 Reaxys:1720171 Wikipedia:Cis-3-Hexenal (3Z)-hex-3-enal chebi_ontology (3Z)-Hexenal 98.14300 C6H10O CC\C=C/CC=O GXANMBISFKBPEX-ARJAWSKDSA-N InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3- CHEBI:23292 cis-3-hexenal CHEBI:23292 A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. coenzyme chebi_ontology coenzymes CHEBI:23354 coenzyme CHEBI:23354 An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Wikipedia:Cofactor_(biochemistry) cofactor cofactors chebi_ontology CHEBI:23357 cofactor CHEBI:23357 compatible osmolytes chebi_ontology CHEBI:23366 compatible osmolytes CHEBI:23366 Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. molecular entity chebi_ontology entidad molecular entidades moleculares entite moleculaire molecular entities molekulare Entitaet CHEBI:23367 molecular entity CHEBI:23367 copper molecular entity chebi_ontology copper compounds copper molecular entities CHEBI:23377 copper molecular entity CHEBI:23377 copper cation chebi_ontology Cu Cu cation copper cations CHEBI:23378 copper cation CHEBI:23378 chebi_ontology CHEBI:23403 coumarins CHEBI:23403 CHEBI:3990 cyclic amide chebi_ontology cyclic amides CHEBI:23443 cyclic amide CHEBI:23443 A cyclic terpene ketone in which the terpene specified is monoterpene. chebi_ontology cyclic monoterpene ketones CHEBI:23446 cyclic monoterpene ketone CHEBI:23446 A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom. cyclitols chebi_ontology CHEBI:23451 cyclitol CHEBI:23451 Saturated monocyclic hydrocarbons (with or without side chains). cycloalkane cycloalkanes chebi_ontology Zyklan Zykloalkan Zykloparaffin cyclane cycloalkanes cycloparaffin CHEBI:23453 cycloalkane CHEBI:23453 chebi_ontology cyclohexenecarboxylic acids CHEBI:23483 cyclohexenecarboxylic acid CHEBI:23483 An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues. cysteine derivative chebi_ontology CHEBI:23509 cysteine derivative CHEBI:23509 Any C6 deoxy sugar having at least one hydroxy group replaced by hydrogen. deoxyhexose chebi_ontology deoxyhexoses CHEBI:23628 deoxyhexose CHEBI:23628 Any sugar having a hydroxy group replaced with a hydrogen atom. chebi_ontology deoxy sugars deoxysugar deoxysugars CHEBI:23639 deoxy sugar CHEBI:23639 An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring. chebi_ontology diazoles CHEBI:23677 diazole CHEBI:23677 Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives. chebi_ontology dihydroxybenzoic acids CHEBI:23778 dihydroxybenzoic acid CHEBI:23778 A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols. Wikipedia:Diol diols chebi_ontology CHEBI:23824 diol CHEBI:23824 chebi_ontology diterpene alkaloids CHEBI:23847 diterpene alkaloid CHEBI:23847 Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0104 diterpenoids chebi_ontology C20 isoprenoids diterpenoides CHEBI:23849 diterpenoid CHEBI:23849 A straight-chain saturated fatty acid anion that is the conjugate base of behenic acid, arising from deprotonation of the carboxylic acid group. Gmelin:351197 KEGG:C08281 behenate docosanoate chebi_ontology 339.57560 C22H43O2 CCCCCCCCCCCCCCCCCCCCCC([O-])=O CH3-[CH2]20-COO(-) Docosanoate InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)/p-1 UKMSUNONTOPOIO-UHFFFAOYSA-M docosanoate CHEBI:23858 behenate CHEBI:23858 Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. chebi_ontology drugs medicine CHEBI:23888 drug CHEBI:23888 chebi_ontology monoatomic cations CHEBI:23906 monoatomic cation CHEBI:23906 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. enzyme inhibitor chebi_ontology enzyme inhibitors inhibidor enzimatico inhibidores enzimaticos inhibiteur enzymatique inhibiteurs enzymatiques CHEBI:23924 enzyme inhibitor CHEBI:23924 Any primary alcohol based on an ethanol skeleton. chebi_ontology CHEBI:23982 ethanols CHEBI:23982 Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol. CHEBI:85056 chebi_ontology 73.07060 C3H5O2R CCOC([*])=O carboxylic acid ethyl ester carboxylic acid ethyl esters ethyl carboxylate ethyl carboxylates ethyl esters CHEBI:23990 ethyl ester CHEBI:23990 Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. chebi_ontology fat-soluble vitamins fettloesliche Vitamine CHEBI:24020 fat-soluble vitamin CHEBI:24020 An aliphatic alcohol consisting of a chain of 8 to 22 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched. LIPID_MAPS_class:LMFA05 fatty alcohol chebi_ontology Fettalkohol Fettalkohole alcool gras fatty alcohols CHEBI:24026 fatty alcohol CHEBI:24026 chebi_ontology CHEBI:24031 ferulic acids CHEBI:24031 A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives. MetaCyc:Flavones Wikipedia:Flavone chebi_ontology 2-aryl-1-benzopyran-4-one 2-aryl-1-benzopyran-4-ones 2-arylchromen-4-one 2-arylchromen-4-ones [*]c1c([*])c([*])c(c([*])c1[*])-c1oc2c([*])c([*])c([*])c([*])c2c(=O)c1[*] a flavone CHEBI:24043 flavones CHEBI:24043 Any furochromene that consists of a furan ring fused with a coumarin. The fusion may occur in different ways in give several isomers. Wikipedia:Furocoumarin chebi_ontology furanocoumarins CHEBI:24128 furanocoumarin CHEBI:24128 Compounds containing at least one furan ring. chebi_ontology oxacyclopenta-2,4-dienes CHEBI:24129 furans CHEBI:24129 galactoside chebi_ontology galactosides CHEBI:24163 galactoside CHEBI:24163 CHEBI:5260 chebi_ontology galacturonans CHEBI:24174 galacturonan CHEBI:24174 An octadienol that has formula C10H18O. Beilstein:8132082 Gmelin:2352439 LINCS:LSM-36962 3,7-dimethylocta-2,6-dien-1-ol chebi_ontology 154.24932 3,7-dimethyl-2,6-octadien-1-ol C10H18O GLZPCOQZEFWAFX-UHFFFAOYSA-N InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3 [H]C(CO)=C(C)CCC=C(C)C CHEBI:24221 3,7-dimethylocta-2,6-dien-1-ol CHEBI:24221 chebi_ontology glucosides CHEBI:24278 glucoside CHEBI:24278 A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. CAS:302-27-2 KEGG:C06091 KNApSAcK:C00001611 PMID:12951473 PMID:14979521 PMID:16293382 PMID:16315485 PMID:16949890 PMID:17276394 PMID:17327465 PMID:18329015 PMID:18448863 PMID:19967988 PMID:20717872 PMID:20886302 PMID:20937638 PMID:20953393 PMID:21277363 PMID:21377951 PMID:21505405 PMID:21512442 PMID:21782880 PMID:9459571 Reaxys:74608 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate Aconitine chebi_ontology 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate 645.73712 C34H47NO11 InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1 XFSBVAOIAHNAPC-XTHSEXKGSA-N [H][C@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@]4([H])[C@H](OC)[C@]5([H])[C@]6(COC)CN(CC)C4[C@]15[C@H](C[C@H]6O)OC)[C@@]2([H])[C@H]3OC(=O)c1ccccc1 CHEBI:2430 aconitine CHEBI:2430 Any substance produced by linking glucuronic acid to another substance via a glycosidic bond. chebi_ontology glucosiduronic acids glucuronide CHEBI:24302 glucosiduronic acid CHEBI:24302 A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of glutaric acid. chebi_ontology glutarate anion glutarates glutaric acid anion CHEBI:24329 glutarate CHEBI:24329 A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. chebi_ontology CHEBI:24373 glycine derivative CHEBI:24373 chebi_ontology glycoglycerolipids CHEBI:24385 glycoglycerolipid CHEBI:24385 Any phospholipid that contain both phosphate and carbohydrate as integral structural components. glycophospholipid chebi_ontology glycophospholipids phosphoglycolipids CHEBI:24397 glycophospholipid CHEBI:24397 A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively. glycosides chebi_ontology O-glycoside O-glycosides glycosides CHEBI:24400 glycoside CHEBI:24400 chebi_ontology glycosylglucoses CHEBI:24405 glycosylglucose CHEBI:24405 A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. chemical entity chebi_ontology CHEBI:24431 chemical entity CHEBI:24431 A role played by the molecular entity or part thereof within a biological context. chebi_ontology biological function CHEBI:24432 biological role CHEBI:24432 A defined linked collection of atoms or a single atom within a molecular entity. group chebi_ontology Gruppe Rest groupe grupo grupos CHEBI:24433 group CHEBI:24433 Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas. chebi_ontology CHEBI:24436 guanidines CHEBI:24436 An alkaloid that has formula C18H22ClNO6. CAS:18145-26-1 KEGG:C10565 KNApSAcK:C00002310 Acutumidine chebi_ontology 383.824 C18H22ClNO6 COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34NCC[C@]23CC(=O)C(OC)=C4OC)[C@@H]1O InChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14+,16+,17+,18+/m0/s1 SBALNGLYQFMKPR-NQTWQHAWSA-N CHEBI:2452 Acutumidine CHEBI:2452 A cyclic compound having as ring members atoms of carbon and at least of one other element. chebi_ontology organic heterocycle organic heterocyclic compounds CHEBI:24532 organic heterocyclic compound CHEBI:24532 A C16 straight-chain monounsaturated fatty acid having one C=C double bond. PMID:17439666 hexadecenoic acid chebi_ontology 16:1 C16:1 C16H30O2 FA 16:1 Hexadecensaeure Hexadecensaeuren acide hexadecenoique acides hexadecenoiques acido hexadecenoico acidos hexadecenoicos hexadecenoic acid 16:1 CHEBI:24548 hexadecenoic acid CHEBI:24548 A monounsaturated fatty acid aldehyde that is hexene having an oxo group at position 1. chebi_ontology CHEBI:24578 hexenal CHEBI:24578 Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. chebi_ontology endocrine hormones CHEBI:24621 hormone CHEBI:24621 A compound consisting of carbon and hydrogen only. hydrocarbon hydrocarbons chebi_ontology Kohlenwasserstoff Kohlenwasserstoffe hidrocarburo hidrocarburos hydrocarbure CHEBI:24632 hydrocarbon CHEBI:24632 Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). chebi_ontology CHEBI:24651 hydroxides CHEBI:24651 Any fatty acid carrying one or more hydroxy substituents. LIPID_MAPS_class:LMFA0105 PMID:18296335 PMID:6419288 PMID:8274032 chebi_ontology hydroxy fatty acids CHEBI:24654 hydroxy fatty acid CHEBI:24654 Any carboxylic acid with at least one hydroxy group. chebi_ontology hydroxy carboxylic acids hydroxycarboxylic acid hydroxycarboxylic acids CHEBI:24669 hydroxy carboxylic acid CHEBI:24669 Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent. chebi_ontology hydroxybenzoates CHEBI:24675 hydroxybenzoate CHEBI:24675 Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring. CHEBI:50778 hydroxybenzoic acid chebi_ontology C7H6O3 hydroxybenzoic acids CHEBI:24676 hydroxybenzoic acid CHEBI:24676 Any compound comprising a butyric acid core carrying at least one hydroxy substituent. hydroxybutanoic acid chebi_ontology C4H8O3 hydroxybutanoic acids hydroxybutyric acids CHEBI:24684 hydroxybutyric acid CHEBI:24684 chebi_ontology monohydroxycinnamic acids CHEBI:24688 monohydroxycinnamic acid CHEBI:24688 Any member of the class of cinnamic acids carrying one or more hydroxy substituents. chebi_ontology hydroxycinnamic acids CHEBI:24689 hydroxycinnamic acid CHEBI:24689 A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents. hydroxyflavanone chebi_ontology hydroxyflavanones CHEBI:24697 hydroxyflavanone CHEBI:24697 Any flavone in which one or more ring hydrogens are replaced by hydroxy groups. chebi_ontology hydroxyflavones CHEBI:24698 hydroxyflavone CHEBI:24698 hydroxymethyl chebi_ontology -CH3-OH 31.03392 CH3O serine side-chain CHEBI:24712 hydroxymethyl group CHEBI:24712 A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. chebi_ontology CHEBI:24780 imidazoles CHEBI:24780 Any compound containing an indole skeleton. chebi_ontology CHEBI:24828 indoles CHEBI:24828 A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). oxoacid oxoacids chebi_ontology oxacids oxiacids oxo acid oxy-acids oxyacids CHEBI:24833 oxoacid CHEBI:24833 chebi_ontology inorganic anions CHEBI:24834 inorganic anion CHEBI:24834 A molecular entity that contains no carbon. chebi_ontology anorganische Verbindungen inorganic compounds inorganic entity inorganic molecular entities inorganics CHEBI:24835 inorganic molecular entity CHEBI:24835 Any cyclohexane-1,2,3,4,5,6-hexol. inositol inositols chebi_ontology 1,2,3,4,5,6-cyclohexanehexol 180.15588 C6H12O6 CDAISMWEOUEBRE-UHFFFAOYSA-N InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H OC1C(O)C(O)C(O)C(O)C1O inositols CHEBI:24848 inositol CHEBI:24848 A chemical that lures insects to a trap, thereby removing them from crops, animals or stored products. PMID:7044287 chebi_ontology insect attractants CHEBI:24850 insect attractant CHEBI:24850 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Wikipedia:Insecticide chebi_ontology insecticides CHEBI:24852 insecticide CHEBI:24852 chebi_ontology monoatomic ions CHEBI:24867 monoatomic ion CHEBI:24867 A molecular entity having a net electric charge. Ion ion chebi_ontology Ionen iones ions CHEBI:24870 ion CHEBI:24870 iron molecular entity chebi_ontology iron compounds iron molecular entities CHEBI:24873 iron molecular entity CHEBI:24873 iron cation chebi_ontology Fe Fe cation iron cations CHEBI:24875 iron cation CHEBI:24875 A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration. Beilstein:1721790 CAS:443-79-8 PMID:17190852 Reaxys:1721790 isoleucine chebi_ontology Hile rel-(2R,3R)-2-amino-3-methylpentanoic acid CHEBI:24898 isoleucine CHEBI:24898 Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives. LIPID_MAPS_class:LMPR01 PMID:12769708 PMID:19219049 isoprenoid isoprenoids chebi_ontology isoprenoids CHEBI:24913 isoprenoid CHEBI:24913 Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine. chebi_ontology isoquinoline alkaloids CHEBI:24921 isoquinoline alkaloid CHEBI:24921 A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives. chebi_ontology CHEBI:24922 isoquinolines CHEBI:24922 Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactam lactams chebi_ontology Laktam Laktame lactams CHEBI:24995 lactam CHEBI:24995 A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group. Beilstein:3587719 CAS:113-21-3 Gmelin:240074 KEGG:C01432 MetaCyc:Lactate 2-hydroxypropanoate lactate chebi_ontology 2-hydroxypropanoic acid, ion(1-) 2-hydroxypropionate 89.07000 C3H5O3 CC(O)C([O-])=O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1 JVTAAEKCZFNVCJ-UHFFFAOYSA-M MeCH(OH)CO2 anion b-lactate beta-lactate CHEBI:24996 lactate CHEBI:24996 Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactone lactones chebi_ontology Lacton Lakton Laktone lactona lactonas CHEBI:25000 lactone CHEBI:25000 A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. Beilstein:636005 CAS:328-39-2 Gmelin:50203 KEGG:C16439 LIPID_MAPS_instance:LMFA01100048 PMID:17439666 Reaxys:636005 Wikipedia:Leucine leucine chebi_ontology (+-)-Leucine (RS)-Leucine 131.17296 2-amino-4-methylpentanoic acid C6H13NO2 CC(C)CC(N)C(O)=O DL-Leucine Hleu InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) L Leu Leucin Leuzin ROHFNLRQFUQHCH-UHFFFAOYSA-N CHEBI:25017 leucine CHEBI:25017 Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an "e". CHEBI:25035 lignan chebi_ontology lignans CHEBI:25036 lignan CHEBI:25036 A macrocyclic lactone with a ring of twelve or more members derived from a polyketide. Wikipedia:Macrolide macrolide macrolides chebi_ontology Makrolid macrolides CHEBI:25106 macrolide CHEBI:25106 An alkaline earth metal atom that has formula Mg. CAS:7439-95-4 DrugBank:DB01378 Gmelin:16207 KEGG:C00305 WebElements:Mg magnesium chebi_ontology 12Mg 24.30500 FYYHWMGAXLPEAU-UHFFFAOYSA-N InChI=1S/Mg Magnesium Mg [Mg] magnesio magnesium CHEBI:25107 magnesium atom CHEBI:25107 magnesium molecular entity chebi_ontology magnesium compounds magnesium molecular entities CHEBI:25108 magnesium molecular entity CHEBI:25108 chebi_ontology magnesium porphyrins CHEBI:25111 magnesium porphyrin CHEBI:25111 A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of malic acid. chebi_ontology malate anion malates malic acid anion CHEBI:25115 malate CHEBI:25115 manganese molecular entity chebi_ontology manganese compounds manganese molecular entities CHEBI:25154 manganese molecular entity CHEBI:25154 manganese cation chebi_ontology Mn manganese cations CHEBI:25155 manganese cation CHEBI:25155 chebi_ontology p-menthane monoterpenoids CHEBI:25186 p-menthane monoterpenoid CHEBI:25186 Any secondary alcohol that is one of the eight possible diastereoisomers of 5-methyl-2-(propan-2-yl)cyclohexan-1-ol. chebi_ontology 156.26520 C10H20O CC(C)C1CCC(C)CC1O InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3 NOOLISFMXDJSKH-UHFFFAOYSA-N CHEBI:25187 p-menthan-3-ol CHEBI:25187 Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. CHEBI:26619 CHEBI:35220 metabolite chebi_ontology metabolites primary metabolites secondary metabolites CHEBI:25212 metabolite CHEBI:25212 chebi_ontology a metal cation metal cations CHEBI:25213 metal cation CHEBI:25213 chebi_ontology metalloporphyrins metaloporphyrins CHEBI:25216 metalloporphyrin CHEBI:25216 Compounds containing a benzene skeleton substituted with one methoxy group. chebi_ontology monomethoxybenzenes CHEBI:25235 monomethoxybenzene CHEBI:25235 chebi_ontology methoxybenzoates CHEBI:25236 methoxybenzoate CHEBI:25236 Any benzoic acid carrying one or more methoxy substituents. chebi_ontology methoxybenzoic acids CHEBI:25238 methoxybenzoic acid CHEBI:25238 A member of the class of flavanones that consists of flavanone with one or more methoxy substituents. chebi_ontology methoxyflavanones CHEBI:25240 methoxyflavanone CHEBI:25240 Any member of the class of flavones with at least one methoxy substituent. chebi_ontology methoxyflavones CHEBI:25241 methoxyflavone CHEBI:25241 Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol. chebi_ontology C2H3O2R COC([*])=O carboxylic acid methyl ester carboxylic acid methyl esters CHEBI:25248 methyl ester CHEBI:25248 chebi_ontology mitochondrial electron transport chain inhibitors mitochondrial electron-transport chain inhibitor mitochondrial respiratory chain inhibitors CHEBI:25355 mitochondrial respiratory-chain inhibitor CHEBI:25355 Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. molecule chebi_ontology Molekuel molecula molecules neutral molecular compounds CHEBI:25367 molecule CHEBI:25367 chebi_ontology molybdenum compounds molybdenum molecular entities CHEBI:25370 molybdenum molecular entity CHEBI:25370 An oxoacid containing a single carboxy group. monocarboxylic acid chebi_ontology monocarboxylic acids CHEBI:25384 monocarboxylic acid CHEBI:25384 A hydroxybenzoate carrying a single hydroxy substituent at unspecified position. chebi_ontology monohydroxybenzoates CHEBI:25388 monohydroxybenzoate CHEBI:25388 Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring. chebi_ontology monohydroxybenzoic acids CHEBI:25389 monohydroxybenzoic acid CHEBI:25389 A terpene ketone derived from a monoterpene. chebi_ontology monoterpene ketones CHEBI:25408 monoterpene ketone CHEBI:25408 Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0102 chebi_ontology monoterpenoids CHEBI:25409 monoterpenoid CHEBI:25409 KEGG:C00863 monoterpenols chebi_ontology CHEBI:25411 monoterpenols CHEBI:25411 Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment. PMID:10584045 PMID:12936956 chebi_ontology MUFA MUFAs monounsaturated fatty acids CHEBI:25413 monounsaturated fatty acid CHEBI:25413 chebi_ontology 0.00000 [*+] monoatomic monocations monovalent cation monovalent inorganic cations CHEBI:25414 monoatomic monocation CHEBI:25414 An isoquinoline alkaloid based on a morphinan skeleton and its substituted derivatives. chebi_ontology morphinane alkaloids CHEBI:25418 morphinane alkaloid CHEBI:25418 chebi_ontology monoatomic polycations multivalent inorganic cations CHEBI:25430 monoatomic polycation CHEBI:25430 An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. Wikipedia:Mutagen chebi_ontology mutagene mutagenes mutagenic agent mutageno mutagenos mutagens CHEBI:25435 mutagen CHEBI:25435 Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings. chebi_ontology CHEBI:25477 naphthalenes CHEBI:25477 A substance used to destroy pests of the phylum Nematoda (roundworms). Wikipedia:Nematicide chebi_ontology nematicides nematocide CHEBI:25491 nematicide CHEBI:25491 A glycoside containing alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue as the sugar unit. neohesperidoside chebi_ontology neohesperidosides CHEBI:25495 neohesperidoside CHEBI:25495 An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. Wikipedia:Neurotransmitter chebi_ontology neurotransmitters CHEBI:25512 neurotransmitter CHEBI:25512 nickel cation chebi_ontology Ni Ni cation nickel cations CHEBI:25516 nickel cation CHEBI:25516 WebElements:N nitrogen chebi_ontology 7N N Stickstoff azote nitrogen nitrogeno CHEBI:25555 nitrogen atom CHEBI:25555 Any polyprenol composed of at least nine isoprene units. chebi_ontology nonaprenols CHEBI:25582 nonaprenol CHEBI:25582 nonmetal chebi_ontology Nichtmetall Nichtmetalle no metal no metales non-metal non-metaux nonmetal nonmetals CHEBI:25585 nonmetal atom CHEBI:25585 A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates. KEGG:C01329 chebi_ontology NMP Nucleoside monophosphate nucleoside phosphates CHEBI:25608 nucleoside phosphate CHEBI:25608 A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3. octadecadienoate chebi_ontology 279.4393 C18H31O2 [O-]C([*])=O CHEBI:25626 octadecadienoate CHEBI:25626 Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds. CAS:26764-25-0 PMID:6794350 octadecadienoic acid chebi_ontology 18:2 C18:2 C18H32O2 FA (18:2) CHEBI:25627 octadecadienoic acid CHEBI:25627 A fatty acid anion 18:0 that is the conjugate base of stearic acid. Stearates have a variety of uses in the pharmaceutical industry. CHEBI:231588 Beilstein:3590530 CAS:646-29-7 Gmelin:344065 KEGG:C01530 MetaCyc:STEARIC_ACID PMID:16401590 PMID:19184617 PMID:3180776 PMID:7452460 Reaxys:3590530 Stearate octadecanoate stearate chebi_ontology 283.46930 C18H35O2 CCCCCCCCCCCCCCCCCC([O-])=O CH3-[CH2]16-COO(-) InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1 QIQXTHQIDYTFRH-UHFFFAOYSA-M octadecanoate octadecanoic acid, ion(1-) stearic acid, ion(1-) CHEBI:25629 stearate CHEBI:25629 Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain. PMID:18832207 PMID:19106329 PMID:7276754 octadecenoic acid chebi_ontology C18H34O2 CHEBI:25634 octadecenoic acid CHEBI:25634 A primary alcohol that is octanol consisting of two double bonds at unspecified positions. chebi_ontology octadienols CHEBI:25639 octadienol CHEBI:25639 A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. Beilstein:3588079 CAS:74-81-7 Gmelin:329219 PMID:11983812 Reaxys:3588079 UM-BBD_compID:c0047 octanoate chebi_ontology 1-heptanecarboxylate 143.204 C(CCCCCC)C(=O)[O-] C8H15O2 CH3-[CH2]6-COO(-) InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1 WWZKQHOCKIZLMA-UHFFFAOYSA-M caprilate caprylate n-caprylate n-octanoate n-octoate n-octylate octanoic acid, ion(1-) octylate CHEBI:25646 octanoate CHEBI:25646 chebi_ontology organic heteromonocyclic compounds CHEBI:25693 organic heteromonocyclic compound CHEBI:25693 chebi_ontology organic anions CHEBI:25696 organic anion CHEBI:25696 Any organic ion with a net positive charge. chebi_ontology organic cations CHEBI:25697 organic cation CHEBI:25697 An organooxygen compound with formula ROR, where R is not hydrogen. ether ethers chebi_ontology 15.99940 OR2 [*]O[*] ethers CHEBI:25698 ether CHEBI:25698 chebi_ontology organic ions CHEBI:25699 organic ion CHEBI:25699 organic phosphate chebi_ontology organic phosphate ester organic phosphate esters organic phosphates organophosphate ester organophosphate esters CHEBI:25703 organic phosphate CHEBI:25703 An alcohol derived from an aliphatic compound. KEGG:C02525 Aliphatic alcohol chebi_ontology 17.007 HOR aliphatic alcohols an aliphatic alcohol CHEBI:2571 aliphatic alcohol CHEBI:2571 An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters. organophosphorus compound chebi_ontology organophosphorus compounds CHEBI:25710 organophosphorus compound CHEBI:25710 A solute used by a cell under water stress to maintain cell volume. chebi_ontology osmolytes CHEBI:25728 osmolyte CHEBI:25728 An oxide is a chemical compound of oxygen with other chemical elements. oxide chebi_ontology oxides CHEBI:25741 oxide CHEBI:25741 Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule. oxo carboxylic acids chebi_ontology oxo acids oxo carboxylic acids CHEBI:25754 oxo carboxylic acid CHEBI:25754 Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety. chebi_ontology an unsaturated fatty acid CHEBI:2580 unsaturated fatty acid anion CHEBI:2580 A chalcogen that has formula O. KEGG:C00007 WebElements:O oxygen chebi_ontology 15.99940 8O InChI=1S/O O QVGXLLKOCUKJST-UHFFFAOYSA-N Sauerstoff [O] oxigeno oxygen oxygene CHEBI:25805 oxygen atom CHEBI:25805 oxygen molecular entity chebi_ontology oxygen molecular entities CHEBI:25806 oxygen molecular entity CHEBI:25806 A monoterpene that has formula C10H20. Beilstein:1900617 CAS:99-82-1 LIPID_MAPS_instance:LMPR0102090000 1-methyl-4-(propan-2-yl)cyclohexane p-menthane chebi_ontology 1-isopropyl-4-methylcyclohexane 1-methyl-4-(1-methylethyl)-cyclohexane 140.26580 C10H20 CC1CCC(CC1)C(C)C CFJYNSNXFXLKNS-UHFFFAOYSA-N InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3 p-Menthan para-menthane CHEBI:25826 p-menthane CHEBI:25826 A fatty acid ester obtained by condensation of the carboxy group of palmitic acid with a hydroxy group of an alcohol or phenol. hexadecanoate ester chebi_ontology C(CCCCCCCCCC)CCCCC(O*)=O C16H31O2R hexadecanoate esters palmitate ester palmitate esters palmitic acid ester palmitic acid esters CHEBI:25835 hexadecanoate ester CHEBI:25835 chebi_ontology pentacyclic triterpenoids CHEBI:25872 pentacyclic triterpenoid CHEBI:25872 A hydroxyflavone substituted by five hydroxy groups. chebi_ontology pentahydroxyflavones CHEBI:25883 pentahydroxyflavone CHEBI:25883 aldopentose phosphate chebi_ontology aldopentose phosphates CHEBI:25900 aldopentose phosphate CHEBI:25900 A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose). pentose chebi_ontology pentoses CHEBI:25901 pentose CHEBI:25901 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Wikipedia:Pesticide pesticide chebi_ontology Pestizid Pestizide pesticides CHEBI:25944 pesticide CHEBI:25944 A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. CAS:828-01-3 HMDB:HMDB00779 MetaCyc:CPD-7999 PMID:22770225 Reaxys:2209791 2-hydroxy-3-phenylpropanoic acid chebi_ontology 166.17390 2-hydroxy-3-phenylpropionic acid C9H10O3 DL-3-phenyllactic acid DL-beta-phenyllactic acid InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) OC(Cc1ccccc1)C(O)=O VOXXWSYKYCBWHO-UHFFFAOYSA-N beta-phenyllactic acid CHEBI:25998 3-phenyllactic acid CHEBI:25998 Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin. Wikipedia:Phenylpropanoid chebi_ontology phenylpropanoids CHEBI:26004 phenylpropanoid CHEBI:26004 A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. PMID:23988175 Wikipedia:Pheromone pheromone chebi_ontology ectohormone feromone pheromones CHEBI:26013 pheromone CHEBI:26013 Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom. phosphates chebi_ontology phosphates CHEBI:26020 phosphate CHEBI:26020 A phosphorus oxoacid that consits of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. Beilstein:1921286 CAS:7664-38-2 Gmelin:2000 HMDB:HMDB02142 KEGG:C00009 KEGG:D05467 KNApSAcK:C00007408 PMID:11455380 PMID:15630224 PMID:17439666 PMID:17518491 PMID:22282755 PMID:22333268 PMID:22381614 PMID:22401268 Reaxys:1921286 Wikipedia:Phosphoric_Acid Phosphoric acid phosphoric acid tetraoxophosphoric acid trihydrogen tetraoxophosphate(3-) trihydroxidooxidophosphorus chebi_ontology 97.99520 H3O4P H3PO4 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) NBIIXXVUZAFLBC-UHFFFAOYSA-N Orthophosphoric acid Phosphate Phosphorsaeure Phosphorsaeureloesungen [H]OP(=O)(O[H])O[H] [PO(OH)3] acide phosphorique acidum phosphoricum orthophosphoric acid CHEBI:26078 phosphoric acid CHEBI:26078 chebi_ontology phosphoric acid derivatives phosphoric acids CHEBI:26079 phosphoric acid derivative CHEBI:26079 chebi_ontology phosphorus molecular entities CHEBI:26082 phosphorus molecular entity CHEBI:26082 chebi_ontology phthalates CHEBI:26092 phthalate CHEBI:26092 A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups. benzenedicarboxylic acid chebi_ontology C8H6O4 CHEBI:26094 benzenedicarboxylic acid CHEBI:26094 chebi_ontology phytosteroids CHEBI:26124 phytosteroid CHEBI:26124 Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond. Wikipedia:Phytosterol chebi_ontology CHEBI:26125 phytosterols CHEBI:26125 An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. chebi_ontology pigments CHEBI:26130 biological pigment CHEBI:26130 chebi_ontology piperidinemonocarboxylic acids CHEBI:26148 piperidinemonocarboxylic acid CHEBI:26148 chebi_ontology CHEBI:26151 piperidines CHEBI:26151 A chemical, natural or artificial, that can affect the rate of growth of a plant. chebi_ontology plant growth regulators CHEBI:26155 plant growth regulator CHEBI:26155 CHEBI:8283 KEGG:C06699 Polar amino acid chebi_ontology polar amino acids CHEBI:26167 polar amino acid CHEBI:26167 Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides. polyketide chebi_ontology polyketides CHEBI:26188 polyketide CHEBI:26188 A compound that contains two or more hydroxy groups. chebi_ontology polyols CHEBI:26191 polyol CHEBI:26191 Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group. Wikipedia:Polyphenol chebi_ontology polyphenols CHEBI:26195 polyphenol CHEBI:26195 Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units. CHEBI:8317 KEGG:C06081 chebi_ontology (C5H8)nC10H18O 0.0 polyprenols CHEBI:26199 polyprenol CHEBI:26199 Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome. PMID:14977874 PMID:16380690 PMID:17891522 chebi_ontology PUFA PUFAs polyunsaturated fatty acids CHEBI:26208 polyunsaturated fatty acid CHEBI:26208 Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Wikipedia:Porphyrin porphyrins chebi_ontology CHEBI:26214 porphyrins CHEBI:26214 An alkali metal atom that has formula K. CAS:7440-09-7 DrugBank:DB01345 KEGG:C00238 WebElements:K potassium chebi_ontology 19K 39.09830 InChI=1S/K K Kalium ZLMJMSJWJFRBEC-UHFFFAOYSA-N [K] kalium potasio potassium CHEBI:26216 potassium atom CHEBI:26216 potassium molecular entity chebi_ontology potassium molecular entities CHEBI:26217 potassium molecular entity CHEBI:26217 Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids). PMID:3113948 PMID:4207873 prenols chebi_ontology CHEBI:26244 prenols CHEBI:26244 A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans. Wikipedia:Proanthocyanidin chebi_ontology condensed tannins polyflavonoid tannins proanthocyanidins CHEBI:26267 proanthocyanidin CHEBI:26267 An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. Beilstein:80809 CAS:609-36-9 Gmelin:26927 KEGG:C16435 PMID:16534801 PMID:21400017 PMID:21903295 PMID:22264337 PMID:22280966 PMID:22770225 Reaxys:80809 Wikipedia:Proline proline chebi_ontology 115.13050 C5H9NO2 DL-Proline Hpro InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) OC(=O)C1CCCN1 ONIBWKKTOPOVIA-UHFFFAOYSA-N Prolin prolina pyrrolidine-2-carboxylic acid CHEBI:26271 proline CHEBI:26271 propane-1,2-diols chebi_ontology CHEBI:26284 propane-1,2-diols CHEBI:26284 chebi_ontology propanediols CHEBI:26288 propanediol CHEBI:26288 A furanocoumarin with a 7H-furo[3,2-g]chromen-7-one skeleton and its substituted derivatives thereof. chebi_ontology psoralenes CHEBI:26369 psoralens CHEBI:26369 Members of the class of benzofurochromene with a 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They generally bear structural resemblance to isoflavanoids that possess antibiotic activity and are produced by plant tissues in response to infection. They are the 3,4-dihydroderivatives of coumestans. CHEBI:60953 MetaCyc:PTEROCARPANS Wikipedia:Pterocarpan chebi_ontology 212.15930 C15O2R12 [*]c1c([*])c([*])c2c(OC([*])([*])C3([*])c4c([*])c([*])c([*])c([*])c4OC23[*])c1[*] isoflavonoid phytoalexin isoflavonoid phytoalexins CHEBI:26377 pterocarpans CHEBI:26377 KEGG:C15587 purine nucleobase chebi_ontology purine bases purine nucleobases CHEBI:26386 purine nucleobase CHEBI:26386 chebi_ontology purine nucleoside diphosphates CHEBI:26391 purine nucleoside diphosphate CHEBI:26391 chebi_ontology purine nucleoside monophosphates CHEBI:26392 purine nucleoside monophosphate CHEBI:26392 purine nucleoside chebi_ontology purine nucleosides CHEBI:26394 purine nucleoside CHEBI:26394 Any nucleotide that has a purine nucleobase. chebi_ontology purine nucleotides CHEBI:26395 purine nucleotide CHEBI:26395 chebi_ontology purine ribonucleoside diphosphates CHEBI:26396 purine ribonucleoside diphosphate CHEBI:26396 chebi_ontology purine ribonucleoside monophosphates CHEBI:26397 purine ribonucleoside monophosphate CHEBI:26397 chebi_ontology purine ribonucleosides CHEBI:26399 purine ribonucleoside CHEBI:26399 Any ribonucleotide that has a purine nucleobase. chebi_ontology purine ribonucleotides CHEBI:26400 purine ribonucleotide CHEBI:26400 A class of imidazopyrimidines that consists of purine and its substituted derivatives. CHEBI:13678 chebi_ontology CHEBI:26401 purines CHEBI:26401 chebi_ontology CHEBI:26407 pyrans CHEBI:26407 chebi_ontology pyridine alkaloids CHEBI:26416 pyridine alkaloid CHEBI:26416 A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring. chebi_ontology pyridinemonocarboxylic acids CHEBI:26420 pyridinemonocarboxylic acid CHEBI:26420 Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. chebi_ontology CHEBI:26421 pyridines CHEBI:26421 pyrimidine nucleobase chebi_ontology pyrimidine bases pyrimidine nucleobases CHEBI:26432 pyrimidine nucleobase CHEBI:26432 KEGG:C03169 chebi_ontology N-D-Ribosylpyrimidine pyrimidine nucleosides CHEBI:26440 pyrimidine nucleoside CHEBI:26440 A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen. chebi_ontology CHEBI:26469 quaternary nitrogen compound CHEBI:26469 A cyclitol carboxylic acid anion that is conjugate base of quinic acid. chebi_ontology CHEBI:26490 quinate CHEBI:26490 A cyclitol carboxylic acid. PMID:15589483 PMID:19952409 PMID:23590498 chebi_ontology CHEBI:26493 quinic acid CHEBI:26493 chebi_ontology quinoline alkaloids CHEBI:26509 quinoline alkaloid CHEBI:26509 chebi_ontology CHEBI:26534 retinals CHEBI:26534 A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). LINCS:LSM-2135 PMID:24506204 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid chebi_ontology 300.43512 C20H28O2 CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N CHEBI:26536 retinoic acid CHEBI:26536 Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. retinoid retinoids chebi_ontology retinoids CHEBI:26537 retinoid CHEBI:26537 A deoxymannose sugar that is the 6-deoxy derivative of hexose. PMID:24211429 PMID:24831810 rhamnose chebi_ontology C6H12O5 ramnose CHEBI:26546 rhamnose CHEBI:26546 rhamnoside chebi_ontology rhamnosides CHEBI:26547 rhamnoside CHEBI:26547 rhamnosylglucoside chebi_ontology rhamnosylglucosides CHEBI:26548 rhamnosylglucoside CHEBI:26548 chebi_ontology ribonucleoside monophosphates CHEBI:26558 ribonucleoside monophosphate CHEBI:26558 chebi_ontology ribonucleotides CHEBI:26561 ribonucleotide CHEBI:26561 ribose phosphate chebi_ontology ribose phosphates CHEBI:26562 ribose phosphate CHEBI:26562 rutinoside chebi_ontology rutinosides CHEBI:26587 rutinoside CHEBI:26587 A glycoside that is a compound containing one or more hydrophilic glycoside moieties combined with a lipophilic triterpenoid or steroid derivative. Found in particular abundance in plant species. CHEBI:60583 chebi_ontology sapogenin glycoside sapogenin glycosides saponins CHEBI:26605 saponin CHEBI:26605 Any organic polycyclic compound that is the aglycon moiety of a saponin; sapogenins may be steroids or triterpenoids. sapogenin chebi_ontology sapogenins CHEBI:26606 sapogenin CHEBI:26606 Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess. PMID:16492686 PMID:19763019 PMID:20237329 saturated fatty acid chebi_ontology SFA SFAs saturated fatty acids CHEBI:26607 saturated fatty acid CHEBI:26607 selenium molecular entity chebi_ontology selenium molecular entities CHEBI:26628 selenium molecular entity CHEBI:26628 A molecular messenger released by an organism that affects the behaviour within or between species. Wikipedia:Semiochemical chebi_ontology semiochemicals CHEBI:26645 semiochemical CHEBI:26645 An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class. PMID:20709681 chebi_ontology 3-phosphoglycerate family amino acid 3-phosphoglycerate family amino acids serine family amino acids CHEBI:26650 serine family amino acid CHEBI:26650 chebi_ontology sesquiterpene alkaloids CHEBI:26657 sesquiterpene alkaloid CHEBI:26657 Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0103 chebi_ontology sesquiterpenoides sesquiterpenoids CHEBI:26658 sesquiterpenoid CHEBI:26658 An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid. PMID:16633129 PMID:16870803 PMID:18203540 PMID:20148677 chebi_ontology CH2OR OC([*])=O SCFA SCFAs short-chain fatty acids CHEBI:26666 short-chain fatty acid CHEBI:26666 silicon molecular entity chebi_ontology silicon compounds silicon molecular entities CHEBI:26677 silicon molecular entity CHEBI:26677 A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). CAS:13190-97-1 Reaxys:1717721 (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol chebi_ontology 631.06850 AFPLNGZPBSKHHQ-MEGGAXOGSA-N C45H74O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+ CHEBI:26718 solanesol CHEBI:26718 A steroid fundamental parent that has formula C29H52. Beilstein:8170826 LIPID_MAPS_instance:LMST01040000 stigmastane chebi_ontology 400.72318 C29H52 GKBHKNPLNHLYHT-LWQAOISPSA-N InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C CHEBI:26773 stigmastane CHEBI:26773 chebi_ontology CHEBI:26799 styrenes CHEBI:26799 A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of succinic acid. chebi_ontology succinate anion succinates succinic acid anion CHEBI:26806 succinate CHEBI:26806 chebi_ontology carbohydrate phosphates CHEBI:26816 carbohydrate phosphate CHEBI:26816 A chalcogen that has formula S. CAS:7704-34-9 KEGG:C00087 KEGG:D06527 WebElements:S sulfur chebi_ontology 16S 32.06600 Elemental sulfur InChI=1S/S NINIDFKCEFEMDL-UHFFFAOYSA-N S Schwefel [S] azufre soufre sulfur sulphur theion CHEBI:26833 sulfur atom CHEBI:26833 chebi_ontology sulfur-containing amino acids CHEBI:26834 sulfur-containing amino acid CHEBI:26834 sulfur molecular entity chebi_ontology sulfur molecular entities CHEBI:26835 sulfur molecular entity CHEBI:26835 Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol. Wikipedia:Tannin chebi_ontology tannins CHEBI:26848 tannin CHEBI:26848 Beilstein:1725148 Beilstein:6270431 CAS:133-37-9 Gmelin:82691 PMID:24507823 PMID:24556732 YMDB:YMDB01788 rel-(2R,3R)-2,3-dihydroxybutanedioic acid chebi_ontology (2R,3R)-rel-2,3-dihydroxybutanedioic acid (2RS,3RS)-tartaric acid (R*,R*)-(+-)-2,3-dihydroxybutanedioic acid (R*,R*)-2,3-dihydroxybutanedioic acid 150.08684 C4H6O6 DL-tartaric acid Traubensaeure Vogesensaeure acide tartrique acido tartarico dl-tartaric acid para-Weinsaeure paratartaric acid racemic acid racemic tartaric acid racemische Weinsaeure resolvable tartaric acid uvic acid CHEBI:26849 tartaric acid CHEBI:26849 chebi_ontology terpene alkaloids CHEBI:26871 terpene alkaloid CHEBI:26871 Any terpenoid which contains a keto group. chebi_ontology CHEBI:26872 terpene ketone CHEBI:26872 Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group. Wikipedia:Terpenoid Terpenoid terpenoids chebi_ontology terpenoide terpenoides CHEBI:26873 terpenoid CHEBI:26873 chebi_ontology terpenols CHEBI:26874 terpenol CHEBI:26874 A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. Wikipedia:Terpineol chebi_ontology CHEBI:26876 terpineol CHEBI:26876 A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it. tertiary alcohol chebi_ontology 71.09780 C4H7OR3 OC(C[*])(C[*])C[*] tertiary alcohols CHEBI:26878 tertiary alcohol CHEBI:26878 Any oxacycle having an oxolane (tetrahydrofuran) skeleton. chebi_ontology CHEBI:26912 oxolanes CHEBI:26912 A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. tetrapyrrole tetrapyrroles chebi_ontology CHEBI:26932 tetrapyrrole CHEBI:26932 chebi_ontology tetraric acids CHEBI:26933 tetraric acid CHEBI:26933 Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0107 tetraterpenoids chebi_ontology C40 isoprenoids tetraterpenoides CHEBI:26935 tetraterpenoid CHEBI:26935 chebi_ontology 0.00000 [*+4] monoatomic tetracations tetravalent inorganic cations CHEBI:26937 monoatomic tetracation CHEBI:26937 An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur. chebi_ontology thiocarboxylic esters CHEBI:26959 thiocarboxylic ester CHEBI:26959 An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms. chebi_ontology heterotricyclic compounds organic heterotricyclic compounds CHEBI:26979 organic heterotricyclic compound CHEBI:26979 An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. Beilstein:8204750 CAS:80-68-2 PMID:11379295 PMID:15221503 PMID:22264337 Wikipedia:Threonine threonine chebi_ontology C4H9NO3 Threonin CHEBI:26986 threonine CHEBI:26986 Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group. chebi_ontology CHEBI:27024 toluenes CHEBI:27024 Poisonous substance produced by a biological organism such as a microbe, animal or plant. Wikipedia:Toxin toxin chebi_ontology toxins CHEBI:27026 toxin CHEBI:27026 chebi_ontology micronutrients trace elements CHEBI:27027 micronutrient CHEBI:27027 An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell. transition element chebi_ontology Uebergangselement Uebergangsmetalle metal de transicion metal de transition metales de transicion metaux de transition transition element transition elements transition metal transition metals CHEBI:27081 transition element atom CHEBI:27081 chebi_ontology tricarboxylate tricarboxylates tricarboxylic acid trianions CHEBI:27092 tricarboxylic acid trianion CHEBI:27092 An oxoacid containing three carboxy groups. Wikipedia:Tricarboxylic_acid chebi_ontology C3H3O6R Tricarbonsaeure Trikarbonsaeure tricarboxylic acids CHEBI:27093 tricarboxylic acid CHEBI:27093 chebi_ontology trihydroxybenzoic acids CHEBI:27115 trihydroxybenzoic acid CHEBI:27115 Any hydroxyflavone carrying three hydroxy groups at unspecified positions. chebi_ontology trihydroxyflavones CHEBI:27116 trihydroxyflavone CHEBI:27116 A chemical compound containing three hydroxy groups. chebi_ontology triols CHEBI:27136 triol CHEBI:27136 Tryptamine and its substitution derivatives. chebi_ontology CHEBI:27162 tryptamines CHEBI:27162 chebi_ontology heterobicyclic compounds organic heterobicyclic compounds CHEBI:27171 organic heterobicyclic compound CHEBI:27171 A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid. chebi_ontology univalent acyl group univalent carboacyl groups univalent carboxylic acyl groups CHEBI:27207 univalent carboacyl group CHEBI:27207 Any fatty acid containing at least one C=C or C#C bond. LIPID_MAPS_class:LMFA0103 PMID:5322381 chebi_ontology alkene acid olefinic acid unsaturated fatty acids CHEBI:27208 unsaturated fatty acid CHEBI:27208 chebi_ontology CHEBI:27242 uridines CHEBI:27242 A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. Beilstein:506689 CAS:516-06-3 Gmelin:49877 KEGG:C16436 PMID:17190852 PMID:22770225 Reaxys:506689 Wikipedia:Valine valine chebi_ontology 117.14638 2-amino-3-methylbutanoic acid C5H11NO2 CC(C)C(N)C(O)=O DL-valine Hval InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Valin valina CHEBI:27266 valine CHEBI:27266 A fatty acid which has a chain length greater than C22. LIPID_MAPS_instance:LMFA01010025 chebi_ontology CH2OR OC([*])=O VLCFA VLCFAs higher fatty acid very long-chain fatty acids CHEBI:27283 very long-chain fatty acid CHEBI:27283 Vitamin D is a group of fat-soluble prohormones, which can be obtained from sun exposure, food and supplements. Vitamin D is biologically inactive and converted to the biologically active calcitriol via double hydroxylation in the body. chebi_ontology D vitamins CHEBI:27300 vitamin D CHEBI:27300 Any metabolite that is found naturally as a component of a volatile oil. Wikipedia:Essential_oil chebi_ontology essential oil component essential oil components ethereal oil component ethereal oil components volatile oil components CHEBI:27311 volatile oil component CHEBI:27311 chebi_ontology wasserloesliche Vitamine water-soluble vitamins CHEBI:27314 water-soluble vitamin CHEBI:27314 A subclass of carotenoids consisting of the oxygenated carotenes. DrugBank:DB00137 xanthophylls chebi_ontology xanthophylls CHEBI:27325 xanthophyll CHEBI:27325 CAS:1330-20-7 KEGG:C19551 Wikipedia:Xylene xylene chebi_ontology C8H10 Dimethylbenzol Xylol Xylole dimethylbenzene methyl toluene methyltoluene xileno xilenos xylenes CHEBI:27338 xylene CHEBI:27338 A zinc group element atom that has formula Zn. CAS:7440-66-6 Gmelin:16321 KEGG:C00038 PDBeChem:ZN WebElements:Zn zinc chebi_ontology 30Zn 65.39000 HCHKCACWOHOZIP-UHFFFAOYSA-N InChI=1S/Zn Zink Zn Zn(II) Zn2+ [Zn] cinc zinc zincum CHEBI:27363 zinc atom CHEBI:27363 chebi_ontology zinc compounds zinc molecular entities CHEBI:27364 zinc molecular entity CHEBI:27364 zinc ion chebi_ontology zinc ions CHEBI:27365 zinc ion CHEBI:27365 A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer). zwitterion zwitterions chebi_ontology compose zwitterionique compuestos zwitterionicos zwitteriones zwitterionic compounds CHEBI:27369 zwitterion CHEBI:27369 A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. CHEBI:23250 CHEBI:3710 Beilstein:507757 CAS:621-82-9 Gmelin:328659 HMDB:HMDB00567 KEGG:C10438 PMID:19238838 PMID:24636064 PMID:24868863 PMID:7628877 Reaxys:507757 Wikipedia:Cinnamic_acid 3-phenylprop-2-enoic acid Cinnamic acid chebi_ontology 148.15862 3-phenyl-2-propenoic acid 3-phenylacrylic acid 3-phenylpropenoic acid C9H8O2 InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) PhCH=CHCO2H WBYWAXJHAXSJNI-UHFFFAOYSA-N Zimtsaeure [H]C(=Cc1ccccc1)C(O)=O benzenepropenoic acid benzylideneacetic acid beta-phenylacrylic acid phenylacrylic acid CHEBI:27386 cinnamic acid CHEBI:27386 A xylene with methyl groups at positions 1 and 4. CHEBI:10633 CHEBI:25832 CHEBI:45248 Beilstein:1901563 CAS:106-42-3 DrugBank:DB03463 Gmelin:2697 HMDB:HMDB59924 KEGG:C06756 MetaCyc:CPD-1422 PDBeChem:PXY PMID:23316419 PMID:24028095 Reaxys:1901563 UM-BBD_compID:c0083 Wikipedia:P-Xylene 1,4-xylene p-Xylene chebi_ontology 1,4-Dimethylbenzene 1,4-Dimethylbenzol 106.16500 4-methyltoluene 4-xylene C8H10 Cc1ccc(C)cc1 InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 PARA-XYLENE URLKBWYHVLBVBO-UHFFFAOYSA-N p-Methyltoluene p-Xylol p-dimethylbenzene para-xylene CHEBI:27417 p-xylene CHEBI:27417 A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. CHEBI:27187 CHEBI:27188 CHEBI:9858 Beilstein:127683 CAS:93-35-6 Gmelin:1220112 KEGG:C09315 KNApSAcK:C00002503 LINCS:LSM-3960 7-hydroxy-2H-chromen-2-one Umbelliferone chebi_ontology 162.14210 7-Hydroxycoumarin 7-hydroxy-2H-1-benzopyran-2-one C9H6O3 InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ORHBXUUXSCNDEV-UHFFFAOYSA-N Oc1ccc2ccc(=O)oc2c1 beta-umbelliferone hydrangin skimmetin CHEBI:27510 umbelliferone CHEBI:27510 A boron group element atom that has formula B. CHEBI:22915 CHEBI:3152 CAS:7440-42-8 KEGG:C06266 WebElements:B boron chebi_ontology 10.81100 5B B Bor Boron InChI=1S/B ZOXJGFHDIHLPTG-UHFFFAOYSA-N [B] boracium bore boro boron CHEBI:27560 boron atom CHEBI:27560 A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. CHEBI:24001 CHEBI:4900 Beilstein:102378 CAS:75-21-8 Gmelin:676 HMDB:HMDB31305 KEGG:C06548 KEGG:D03474 PMID:11437638 PMID:24313866 PMID:24882394 PMID:25005741 PMID:3932500 Reaxys:102378 UM-BBD_compID:c0527 Wikipedia:Oxirane oxirane chebi_ontology 1,2-Epoxyaethan 1,2-epoxyethane 44.05256 Aethylenoxid Amprolene Anprolene Anproline C1CO1 C2H4O Dihydrooxirene Dimethylene oxide ETO Ethylene oxide IAYPIBMASNFSPL-UHFFFAOYSA-N InChI=1S/C2H4O/c1-2-3-1/h1-2H2 Oxacyclopropane Oxane Oxidoethane Oxyfume epoxyethane ethene oxide oxyde d'ethylene CHEBI:27561 oxirane CHEBI:27561 A chalcogen that has formula Se. CHEBI:26627 CHEBI:9091 CAS:7782-49-2 KEGG:C01529 WebElements:Se selenium chebi_ontology 34Se 78.96000 BUGBHKTXTAQXES-UHFFFAOYSA-N InChI=1S/Se Se Selen Selenium [Se] selenio selenium CHEBI:27568 selenium atom CHEBI:27568 An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. CHEBI:24598 CHEBI:43118 CHEBI:5733 Beilstein:84087 CAS:4998-57-6 Gmelin:3656 KEGG:C00768 KNApSAcK:C00001363 PMID:17190852 PMID:22264337 PMID:22770225 Reaxys:84087 Wikipedia:Histidine 2-amino-3-(1H-imidazol-4-yl)propanoic acid Histidine histidine chebi_ontology 155.15468 C6H9N3O2 DL-Histidine HNDVDQJCIGZPNO-UHFFFAOYSA-N Histidin InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) NC(Cc1c[nH]cn1)C(O)=O alpha-Amino-1H-imidazole-4-propionic acid histidina CHEBI:27570 histidine CHEBI:27570 A carbon group element atom that has formula Si. CHEBI:26676 CHEBI:9140 CAS:7440-21-3 KEGG:C06263 WebElements:Si silicon chebi_ontology 14Si 28.08550 InChI=1S/Si Si Silicon Silizium XUIMIQQOPSSXEZ-UHFFFAOYSA-N [Si] silicio silicium silicon CHEBI:27573 silicon atom CHEBI:27573 A proanthocyanidin obtained by the condensation of (-)-epicatechin and (+)-catechin units. CHEBI:26268 CHEBI:8447 CAS:29106-51-2 HMDB:HMDB13690 KEGG:C10238 KNApSAcK:C00002935 LIPID_MAPS_instance:LMPK12030004 PMID:17638329 PMID:17851427 PMID:22253995 PMID:22320845 Patent:US2010047372 Patent:WO2010021935 Reaxys:3647174 Wikipedia:Procyanidin_B4 (2R,2'R,3S,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol Procyanidin B4 chebi_ontology 578.52020 C30H26O12 InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 XFZJEEAOWLFHDH-VUGKQVTMSA-N catechin-(4alpha->8)-epicatechin CHEBI:27589 procyanidin B4 CHEBI:27589 A carbon group element atom that has formula C. CHEBI:23009 CHEBI:3399 CAS:7440-44-0 KEGG:C06265 WebElements:C carbon chebi_ontology 12.01070 6C C Carbon InChI=1S/C Kohlenstoff OKTJSMMVPCPJKN-UHFFFAOYSA-N [C] carbon carbone carbonium carbono CHEBI:27594 carbon atom CHEBI:27594 The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. CHEBI:26368 CHEBI:378534 CHEBI:8615 Beilstein:152784 CAS:66-97-7 KEGG:C09305 KEGG:D08450 KNApSAcK:C00000297 PMID:20196083 PMID:21468912 Reaxys:152784 Wikipedia:Psoralen 7H-furo[3,2-g]chromen-7-one Psoralen psoralen chebi_ontology 186.16350 186.16354 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone 6,7-furanocoumarin 6-hydroxy-5-benzofuranacrylic acid delta-lactone 7H-furo[3,2-g][1]benzopyran-7-one C11H6O3 Ficusin InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H Manaderm O=c1ccc2cc3ccoc3cc2o1 ZCCUUQDIBDJBTK-UHFFFAOYSA-N furo[2',3':7,6]coumarin furo[4',5':6,7]coumarin furocoumarin psoralene CHEBI:27616 psoralen CHEBI:27616 A D-galactopyranose having beta-configuration at the anomeric centre. CHEBI:10383 CHEBI:22774 CHEBI:42776 CHEBI:42889 Beilstein:1680744 CAS:7296-64-2 Gmelin:648639 KEGG:C00962 PDBeChem:GLB PMID:17991151 PMID:19443021 PMID:25568069 Reaxys:1680744 BETA-D-GALACTOSE beta-D-Galactose beta-D-galactopyranose beta-D-galactose chebi_ontology 180.15590 C6H12O6 Gal-beta InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O WQZGKKKJIJFFOK-FPRJBGLDSA-N beta-D-Gal CHEBI:27667 beta-D-galactose CHEBI:27667 A fatty acid anion 10:0 that is the conjugate base of decanoic acid. CHEBI:125804 CHEBI:23570 Beilstein:3538146 Gmelin:330643 KEGG:C01571 MetaCyc:CPD-3617 Reaxys:3538146 decanoate chebi_ontology 1-nonanecarboxylate 171.25670 C10H19O2 CCCCCCCCCC([O-])=O CH3-[CH2]8-COO(-) GHVNFZFCNZKVNT-UHFFFAOYSA-M InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1 caprate caprinate caprynate decanoic acid anion decoate decylate n-caprate n-decanoate n-decoate n-decylate nC9H19CO2 anion CHEBI:27689 decanoate CHEBI:27689 A phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. CHEBI:26692 CHEBI:9170 Beilstein:1916156 CAS:83-46-5 KEGG:C01753 KEGG:D08518 KNApSAcK:C00003672 KNApSAcK:C00023770 LIPID_MAPS_instance:LMST01040129 PMID:20525330 PMID:23199991 PMID:23215694 PMID:23250922 PMID:23266618 PMID:23516045 PMID:23624268 Sitosterol stigmast-5-en-3beta-ol chebi_ontology (-)-beta-Sitosterol (24R)-Ethylcholest-5-en-3beta-ol (24R)-Stigmast-5-en-3beta-ol (24R)-ethylcholest-5-en-3beta-ol (3beta)-Stigmast-5-en-3-ol 22,23-Dihydrostigmasterol 24alpha-Ethylcholesterol 414.70670 Azuprostat C29H50O Cupreol InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 KZJWDPNRJALLNS-VJSFXXLFSA-N Nimbosterol Triastonal [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C alpha-Dihydrofucosterol beta-Sitosterin beta-Sitosterol CHEBI:27693 sitosterol CHEBI:27693 Any hydroxyflavone with a hydroxy substituent at position 3'. CHEBI:1346 CHEBI:13597 CHEBI:19851 KEGG:C02790 3'-Hydroxyflavonoid 3'-hydroxyflavonoid chebi_ontology 229.16660 3'-hydroxyflavones 3'-hydroxyflavonoids C15HO3R9 Oc1c([*])c([*])c([*])c(c1[*])-c1oc2c([*])c([*])c([*])c([*])c2c(=O)c1[*] CHEBI:27741 3'-hydroxyflavonoid CHEBI:27741 A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. CHEBI:24888 CHEBI:6010 CAS:537-73-5 DrugBank:DB07109 HMDB:HMDB00955 KEGG:C10470 KNApSAcK:C00002752 PDBeChem:4FE PMID:18314290 PMID:21937734 PMID:21941899 PMID:22770225 Reaxys:2212760 (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid chebi_ontology 194.18400 3-Hydroxy-4-methoxycinnamic acid C10H10O4 COc1ccc(\C=C\C(O)=O)cc1O Hesperetic acid InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ QURCVMIEKCOAJU-HWKANZROSA-N CHEBI:27794 isoferulic acid CHEBI:27794 CHEBI:10294 CHEBI:22426 KEGG:C02757 6-deoxy-alpha-L-mannopyranoside alpha-L-Rhamnoside chebi_ontology 163.14850 C6H11O5R C[C@@H]1O[C@@H](O[*])[C@H](O)[C@H](O)[C@H]1O alpha-L-rhamnosides CHEBI:27848 alpha-L-rhamnoside CHEBI:27848 A cineole that has formula C10H18O. CHEBI:18956 CHEBI:23242 CHEBI:35814 CHEBI:41535 CHEBI:561 Beilstein:105109 Beilstein:5239941 CAS:470-82-6 DrugBank:DB03852 Gmelin:131076 KEGG:C09844 KEGG:D04115 KNApSAcK:C00000136 PDBeChem:CNL Wikipedia:Eucalyptol 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane 1,8-Cineole 1,8-cineole chebi_ontology 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE 1,8-Cineol 1,8-epoxy-p-menthane 1,8-oxido-p-menthane 154.24932 C10H18O C[C@@]12CC[C@@H](CC1)C(C)(C)O2 InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ WEEGYLXZBRQIMU-WAAGHKOSSA-N Zineol cajeputol cineole eucalyptol CHEBI:27961 1,8-cineole CHEBI:27961 A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. CHEBI:12251 CHEBI:20779 CHEBI:25089 CHEBI:29061 CHEBI:6582 CAS:5373-11-5 HMDB:HMDB35588 KEGG:C03951 KNApSAcK:C00004266 LIPID_MAPS_instance:LMPK12110642 MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCOSIDE PMID:20127879 PMID:22741463 PMID:23019878 PMID:7875536 Patent:CN101474196 Patent:US2011207684 Reaxys:66982 Wikipedia:Cynaroside 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one Luteolin 7-O-beta-D-glucoside chebi_ontology 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one 448.37690 7-Glucoluteolin 7-Glucosylluteolin 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone C21H20O11 Cinaroside Cynaroside InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 Luteolin 7-O-glucopyranoside Luteolin 7-O-glucoside Luteolin 7-glucoside Luteolin 7-monoglucoside Luteolin-7-glucoside Luteoloside OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O PEFNSGRTCBGNAN-QNDFHXLGSA-N CHEBI:27994 luteolin 7-O-beta-D-glucoside CHEBI:27994 CHEBI:10384 CHEBI:22775 CHEBI:22776 KEGG:C00602 beta-D-Galactoside chebi_ontology 179.14790 C6H11O6R OC[C@H]1O[C@@H](O[*])[C@H](O)[C@@H](O)[C@H]1O a beta-D-galactoside beta-D-galactopyranoside beta-D-galactosides CHEBI:28034 beta-D-galactoside CHEBI:28034 An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. CHEBI:25984 CHEBI:8089 Beilstein:1910407 CAS:150-30-1 Gmelin:50836 KEGG:C02057 PMID:17439666 PMID:22264337 Reaxys:1910407 Wikipedia:Phenylalanine 2-amino-3-phenylpropanoic acid Phenylalanine phenylalanine chebi_ontology 165.18918 C9H11NO2 COLNVLDHVKWLRT-UHFFFAOYSA-N DL-Phenylalanine F InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) NC(Cc1ccccc1)C(O)=O PHE Phenylalanin alpha-Amino-beta-phenylpropionic acid fenilalanina CHEBI:28044 phenylalanine CHEBI:28044 A xylene substituted by methyl groups at positions 1 and 3. CHEBI:10611 CHEBI:25623 CHEBI:44697 Beilstein:1815558 CAS:95-47-6 DrugBank:DB03029 Gmelin:67796 HMDB:HMDB59851 KEGG:C07212 MetaCyc:CPD-1421 PDBeChem:OXE PMID:22960059 PMID:24246944 Reaxys:1815558 UM-BBD_compID:c0248 Wikipedia:O-Xylene 1,2-xylene o-Xylene chebi_ontology 1,2-Dimethylbenzol 1,2-dimethylbenzene 106.16500 2-xylene 3,4-xylene C8H10 CTQNGGLPUBDAKN-UHFFFAOYSA-N Cc1ccccc1C InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 ORTHO-XYLENE o-Dimethylbenzene o-Methyltoluene o-Xylol CHEBI:28063 o-xylene CHEBI:28063 A glycosylglucose consisting of two D-glucopyranose units connected by a beta-(1->6)-linkage. CHEBI:24214 CHEBI:5318 CHEBI:60806 CAS:554-91-6 KEGG:C08240 PMID:24274485 PMID:24338885 PMID:4640505 PMID:7536675 Reaxys:4875396 Wikipedia:Gentiobiose Gentiobiose beta-D-glucopyranosyl-(1->6)-D-glucopyranose chebi_ontology 342.29648 6-O-beta-D-glucopyranosyl-D-glucopyranose 6-O-beta-D-glucopyranosyl-D-glucose C12H22O11 D-Glc(beta1->6)D-Glc DLRVVLDZNNYCBX-CQUJWQHSSA-N InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12-/m1/s1 OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O beta-D-Glc-(1->6)-D-Glc beta-D-Glcp-(1->6)-D-Glcp beta-D-glucopyranosyl-(1->6)-D-glucose beta-D-glucosyl-(1->6)-D-glucose CHEBI:28066 gentiobiose CHEBI:28066 7-Hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. CHEBI:24204 CHEBI:42763 CHEBI:5302 Beilstein:263823 CAS:446-72-0 DrugBank:DB01645 KEGG:C06563 KNApSAcK:C00002526 LINCS:LSM-5549 MetaCyc:CPD-3141 PDBeChem:GEN PMID:10741415 PMID:11564287 PMID:18413741 PMID:18490856 PMID:18815740 PMID:19107852 PMID:19402570 PMID:22303062 PMID:24297371 PMID:24379139 Reaxys:263823 Wikipedia:Genistein 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one GENISTEIN Genistein chebi_ontology 270.23690 4',5,7-trihydroxyisoflavone 5,7,4'-Trihydroxyisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C15H10O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Prunetol Sophoricol TZBJGXHYKVUXJN-UHFFFAOYSA-N CHEBI:28088 genistein CHEBI:28088 A bornane monoterpenoid that is 1,7,7-trimethylbicyclo[2.2.1]heptane substituted by a hydroxy group at position 2. CHEBI:22913 CHEBI:3150 Beilstein:1903042 CAS:507-70-0 Gmelin:185292 KEGG:C01411 KNApSAcK:C00003028 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol Borneol chebi_ontology 154.24932 Borneo camphor C10H18O CC1(C)C2CCC1(C)C(O)C2 DTGKSKDOIYIVQL-UHFFFAOYSA-N InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3 Sumatra camphor bornyl alcohol endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol endo-2-bornanol endo-2-camphanol endo-2-hydroxycamphane CHEBI:28093 borneol CHEBI:28093 An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. CHEBI:22701 CHEBI:3021 CHEBI:46351 Beilstein:385876 CAS:55-21-0 HMDB:HMDB04461 KEGG:C09815 PMID:20133863 Reaxys:385876 UM-BBD_compID:c0368 Wikipedia:Benzamide Benzamide benzamide chebi_ontology 121.13662 Benzenecarboxamide Benzoic acid amide Benzoylamide C7H7NO InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N NC(=O)c1ccccc1 PhC(=O)NH2 PhC(O)NH2 Phenylcarboxamide Phenylcarboxyamide CHEBI:28179 benzamide CHEBI:28179 A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. CHEBI:23558 CHEBI:4306 Beilstein:231523 CAS:486-66-8 HMDB:HMDB03312 KEGG:C10208 KNApSAcK:C00009380 LINCS:LSM-2935 LIPID_MAPS_instance:LMPK12050038 MetaCyc:DAIDZEIN PMID:11193416 PMID:16802696 PMID:23267126 PMID:23337939 PMID:23342971 PMID:23439294 PMID:9544566 Reaxys:231523 Wikipedia:Daidzein 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Daidzein chebi_ontology 254.23750 4',7-dihydroxyisoflavone 7,4'-dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C15H10O4 InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-N daidzeol isoaurostatin CHEBI:28197 daidzein CHEBI:28197 A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. CHEBI:24529 CHEBI:5681 Beilstein:92705 CAS:520-33-2 DrugBank:DB01094 HMDB:HMDB05782 KEGG:C01709 KNApSAcK:C00000968 LINCS:LSM-20933 LIPID_MAPS_instance:LMPK12140003 MetaCyc:CPD-7072 PMID:16964766 PMID:22409373 PMID:22794525 PMID:22899565 PMID:22903244 Reaxys:92705 Wikipedia:Hesperetin (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one Hesperetin hesperetin chebi_ontology (-)-(S)-hesperetin (-)-hesperetin (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 3',5,7-Trihydroxy-4'-methoxyflavanone 302.27880 AIONOLUJZLIMTK-AWEZNQCLSA-N C16H14O6 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 CHEBI:28230 hesperetin CHEBI:28230 A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4. CHEBI:11087 CHEBI:18464 CHEBI:69 Beilstein:2331902 KEGG:C04166 PMID:24436000 PMID:24949478 PMID:25282893 PMID:25918779 Reaxys:2331902 4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one Vomifoliol chebi_ontology (+/-)-6-Hydroxy-3-oxo-alpha-ionol (+/-)-6-hydroxy-3-oxo-alpha-ionol 224.29610 C13H20O3 CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+ KPQMCAKZRXOZLB-AATRIKPKSA-N CHEBI:28258 vomifoliol CHEBI:28258 An aldohexose that is the C-4 epimer of glucose. CHEBI:24162 CHEBI:33933 CHEBI:5256 CAS:26566-61-0 KEGG:C01582 Wikipedia:Galactose Galactose galacto-hexose galactose chebi_ontology C6H12O6 Gal Galaktose CHEBI:28260 galactose CHEBI:28260 A racemate comprising equimolar amounts of (R)- and (S)-lactic acid. CHEBI:24998 CHEBI:6351 Beilstein:1209341 CAS:50-21-5 DrugBank:DB04398 KEGG:C01432 KEGG:D00111 LIPID_MAPS_instance:LMFA01050002 PMID:17190852 Reaxys:1209341 Wikipedia:Lactic_acid rac-2-hydroxypropanoic acid chebi_ontology (+-)-2-hydroxypropanoic acid 2-Hydroxypropanoic acid 2-Hydroxypropionic acid C3H6O3 E270 Lactic acid Milchsaeure alpha-hydroxypropanoic acid alpha-hydroxypropionic acid CHEBI:28358 rac-lactic acid CHEBI:28358 CHEBI:10197 CHEBI:13780 CHEBI:22361 KEGG:C04025 alpha,omega-Dicarboxylic acid chebi_ontology alpha(omega)-Dicarboxylic acid alpha,omega-dicarboxylic acids alphaomega-dicarboxylic acid CHEBI:28383 alpha,omega-dicarboxylic acid CHEBI:28383 A fatty alcohol 30:0 that has formula C30H62O. CHEBI:27089 CHEBI:9663 Beilstein:1711965 CAS:593-50-0 KEGG:C08392 KNApSAcK:C00001269 LIPID_MAPS_instance:LMFA05000006 Triacontan-1-ol triacontan-1-ol chebi_ontology 1-Triacontanol 438.81270 C30H62O CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3 Myricyl alcohol REZQBEBOWJAQKS-UHFFFAOYSA-N melissyl alcohol n-triacontanol triacontyl alcohol CHEBI:28409 triacontan-1-ol CHEBI:28409 A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. CHEBI:23945 CHEBI:4832 CHEBI:49606 Beilstein:92358 CAS:552-58-9 KEGG:C05631 KNApSAcK:C00000960 LIPID_MAPS_instance:LMPK12140002 LIPID_MAPS_instance:LMPK12140432 (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one Eriodictyol chebi_ontology (S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone 288.25220 C15H12O6 Eriodictiol InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 SBHXYTNGIZCORC-ZDUSSCGKSA-N CHEBI:28412 eriodictyol CHEBI:28412 A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively. CHEBI:10215 CHEBI:22447 Beilstein:2067408 Beilstein:3227599 CAS:432-70-2 HMDB:HMDB03993 KEGG:C05433 KNApSAcK:C00003765 LIPID_MAPS_instance:LMPR01070258 PMID:23620017 PMID:24169341 PMID:9408998 Reaxys:2682045 alpha-Carotene alpha-carotene beta,epsilon-carotene chebi_ontology 536.87264 ANVAOWXLWRTKGA-JLTXGRSLSA-N C40H56 CC(\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ all-trans-alpha-carotene CHEBI:28425 alpha-carotene CHEBI:28425 A C5, branched-chain saturated fatty acid. CHEBI:24930 CHEBI:43426 CHEBI:6069 Beilstein:1098522 CAS:503-74-2 DrugBank:DB03750 Gmelin:101117 KEGG:C08262 KNApSAcK:C00001189 LIPID_MAPS_instance:LMFA01020181 PDBeChem:IVA PMID:12743728 3-methylbutanoic acid ISOVALERIC ACID Isovaleric acid chebi_ontology 102.13170 3-Methylbutanoic acid 3-Methylbuttersaeure 3-methyl-n-butyric acid 3-methylbutyric acid C5H10O2 CC(C)CC(O)=O GWYFCOCPABKNJV-UHFFFAOYSA-N InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) Isovalerate Isovaleriansaeure beta-methylbutyric acid delphinic acid isobutylformic acid isopentanoic acid isopropylacetic acid isovalerianic acid CHEBI:28484 isovaleric acid CHEBI:28484 A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3, 5, 7 and 4'. CHEBI:24944 CHEBI:43598 CHEBI:6100 Beilstein:304401 CAS:520-18-3 DrugBank:DB01852 HMDB:HMDB05801 KEGG:C05903 KNApSAcK:C00004565 LINCS:LSM-5304 LIPID_MAPS_instance:LMPK12110003 MetaCyc:CPD1F-90 PDBeChem:KMP PMID:12592675 PMID:15234754 PMID:17426744 Reaxys:304401 Wikipedia:kaempferol 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one Kaempferol chebi_ontology 286.23630 3,4',5,7-Tetrahydroxyflavone 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol 5,7,4'-trihydroxyflavonol C.I. 75640 C15H10O6 IYRMWMYZSQPJKC-UHFFFAOYSA-N InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H Indigo yellow Kaempherol Kampherol Kempferol Nimbecetin Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Pelargidenolon Populnetin Rhamnolutein Rhamnolutin Robigenin Swartziol Trifolitin campherol CHEBI:28499 kaempferol CHEBI:28499 A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. CHEBI:26585 CHEBI:45398 CHEBI:8923 Beilstein:75455 CAS:153-18-4 DrugBank:DB01698 HMDB:HMDB03249 KEGG:C05625 KEGG:D00190 KEGG:D08499 KNApSAcK:C00005413 LINCS:LSM-2457 MetaCyc:RUTIN PMID:15601236 PMID:20701244 Reaxys:75455 Wikipedia:Rutin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Rutin chebi_ontology 3-Rhamnoglucosylquercetin 3-Rutinosyl quercetin 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 610.51750 C27H30O16 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O IKGXIBQEEMLURG-NVPNHPEKSA-N InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 Phytomelin Quercetin 3-rutinoside Quercetin-3-rutinoside Rutoside CHEBI:28527 rutin CHEBI:28527 A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. CHEBI:24434 CHEBI:5549 CAS:90-05-1 HMDB:HMDB01398 KEGG:C01502 KEGG:C15572 KEGG:D00117 KNApSAcK:C00002654 KNApSAcK:C00029459 LINCS:LSM-6001 MetaCyc:CPD-400 PDBeChem:JZ3 PMID:22103597 PMID:23587706 PMID:24295708 Patent:RU94026717 Reaxys:508112 Wikipedia:Guaiacol 2-methoxyphenol Guaiacol chebi_ontology 1-Hydroxy-2-methoxybenzene 124.13722 2-Hydroxyanisole 2-methoxyphenol C7H8O2 COc1ccccc1O Catechol monomethyl ether InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 LHGVFZTZFXWLCP-UHFFFAOYSA-N o-Methoxyphenol CHEBI:28591 guaiacol CHEBI:28591 A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. CHEBI:22504 CHEBI:23002 CHEBI:3386 CHEBI:44573 Beilstein:1734754 CAS:463-77-4 DrugBank:DB04261 Gmelin:130345 KEGG:C01563 PDBeChem:OUT Wikipedia:Carbamic_acid CARBAMIC ACID Carbamic acid carbamic acid chebi_ontology 61.04006 Aminoameisensaeure Aminoformic acid CH3NO2 Carbamate Carbamidsaeure InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) KXDHJXZQYSOELW-UHFFFAOYSA-N NC(O)=O CHEBI:28616 carbamic acid CHEBI:28616 A phytosterol that has formula C28H48O. CHEBI:22994 CHEBI:3342 CAS:474-62-4 KEGG:C01789 KNApSAcK:C00003647 LIPID_MAPS_instance:LMST01030097 Campesterol campest-5-en-3beta-ol chebi_ontology (24R)ergost-5-en-3beta-ol 400.68012 C28H48O InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 SGNBVLSWZMBQTH-PODYLUTMSA-N [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C CHEBI:28623 campesterol CHEBI:28623 A pnictogen that has formula P. CHEBI:26080 CHEBI:8168 CAS:7723-14-0 Gmelin:16235 KEGG:C06262 WebElements:P phosphorus chebi_ontology 15P 30.97376 InChI=1S/P OAICVXFJPJFONN-UHFFFAOYSA-N P Phosphor Phosphorus [P] fosforo phosphore phosphorus CHEBI:28659 phosphorus atom CHEBI:28659 A chromium group element atom that has formula Mo. CHEBI:25369 CHEBI:49750 CHEBI:6968 CAS:7439-98-7 Gmelin:16205 KEGG:C00150 WebElements:Mo molybdenum chebi_ontology 42Mo 95.94000 InChI=1S/Mo Mo Molybdaen Molybdenum ZOKXTWBITQBERF-UHFFFAOYSA-N [Mo] molibdeno molybdene molybdenum CHEBI:28685 molybdenum atom CHEBI:28685 A copper group element atom that has formula Cu. CHEBI:23376 CHEBI:3874 CAS:7440-50-8 Gmelin:16269 KEGG:C00070 WebElements:Cu copper chebi_ontology 29Cu 63.54600 Copper Cu InChI=1S/Cu Kupfer RYGMFSIKBFXOCR-UHFFFAOYSA-N [Cu] cobre copper cuivre cuprum CHEBI:28694 copper atom CHEBI:28694 A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. CHEBI:25065 CHEBI:42001 CHEBI:6501 Beilstein:3593780 CAS:578-86-9 HMDB:HMDB29519 KEGG:C09762 KNApSAcK:C00000977 LIPID_MAPS_instance:LMPK12140061 PDBeChem:DFV PMID:17950610 PMID:18177995 PMID:21866899 Reaxys:3593780 Wikipedia:Liquiritigenin (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one Liquiritigenin liquiritigenin chebi_ontology (-)-liquiritigenin (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one (2S)-liquiritigenin 256.25340 4',7-Dihydroxyflavanone 7,4'-Dihydroxyflavanone 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE C15H12O4 FURUXTVZLHCCNA-AWEZNQCLSA-N InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 CHEBI:28777 liquiritigenin CHEBI:28777 A chromenone having the keto group located at the 2-position. CHEBI:101256 CHEBI:23402 CHEBI:3906 CHEBI:41552 Beilstein:383644 CAS:91-64-5 DrugBank:DB04665 Gmelin:165222 HMDB:HMDB01218 KEGG:C05851 KEGG:D07751 KNApSAcK:C00002460 LINCS:LSM-2519 MetaCyc:COUMARIN PMID:17988284 PMID:19025869 PMID:21046436 PMID:21462332 PMID:21798343 PMID:8735869 Reaxys:383644 Wikipedia:Coumarin 2H-chromen-2-one chebi_ontology 1,2-Benzopyrone 146.14270 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone 2H-1-Benzopyran-2-one 2H-benzo[b]pyran-2-one 5,6-Benzo-2-pyrone Benzo-a-pyrone Benzo-alpha-pyrone C9H6O2 Coumarine Coumarinic anhydride Cumarin InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H O=c1ccc2ccccc2o1 Rattex Tonka bean camphor ZYGHJZDHTFUPRJ-UHFFFAOYSA-N cis-o-Coumarinic acid lactone o-Hydroxycinnamic acid lactone o-hydroxycinnamic acid delta-lactone CHEBI:28794 coumarin CHEBI:28794 Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group. CHEBI:13639 CHEBI:24052 CHEBI:71969 MetaCyc:Flavonols Wikipedia:Flavonol chebi_ontology 229.16660 3-hydroxyflavones C15HO3R9 Oc1c(oc2c([*])c([*])c([*])c([*])c2c1=O)-c1c([*])c([*])c([*])c([*])c1[*] a flavonol CHEBI:28802 flavonols CHEBI:28802 A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5. CHEBI:26683 CHEBI:9158 Beilstein:3084125 CAS:537-33-7 KEGG:C02325 PMID:22794913 PMID:23398235 PMID:24667164 Reaxys:3084125 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol Sinapyl alcohol chebi_ontology 210.22650 C11H14O4 COc1cc(C=CCO)cc(OC)c1O InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3 LZFOPEXOUVTGJS-UHFFFAOYSA-N Sinapic alcohol Sinapoyl alcohol CHEBI:28813 sinapyl alcohol CHEBI:28813 A straight-chain alkane with 12 carbon atoms. It has been form the essential oils of various plants including Zingiber officinale (ginger). CHEBI:25464 CHEBI:41713 CHEBI:4675 Beilstein:1697175 CAS:112-40-3 DrugBank:DB02771 Gmelin:201408 HMDB:HMDB31444 KEGG:C08374 KNApSAcK:C00001248 LIPID_MAPS_instance:LMFA11000004 MetaCyc:CPD-9290 PDBeChem:D12 PMID:24493301 Reaxys:1697175 Wikipedia:Dodecane DODECANE Dodecane dodecane chebi_ontology 170.33484 Bihexyl C12H26 CCCCCCCCCCCC CH3-[CH2]10-CH3 Dihexyl Dodekan InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 SNRUBQQJIBEYMU-UHFFFAOYSA-N n-Dodecane CHEBI:28817 dodecane CHEBI:28817 A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. CHEBI:25486 CHEBI:545774 CHEBI:566122 CHEBI:7485 Beilstein:102012 CAS:10236-47-2 HMDB:HMDB02927 KEGG:C09789 KNApSAcK:C00000983 LINCS:LSM-2038 MetaCyc:NARINGIN PMID:21636685 PMID:22847135 PMID:22965302 PMID:22985397 PMID:23111634 Reaxys:102012 Wikipedia:Naringin (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Naringin chebi_ontology 580.53460 C27H32O14 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O DFPMSGMNTNDNHN-ZPHOTFPESA-N InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside] Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside Naringenin 7-O-neohesperidoside Naringoside CHEBI:28819 naringin CHEBI:28819 A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions. CHEBI:26774 CHEBI:8195 Beilstein:2568182 CAS:83-48-7 HMDB:HMDB00937 KEGG:C05442 KNApSAcK:C00003674 KNApSAcK:C00023774 LIPID_MAPS_instance:LMST01040123 PMID:13318319 PMID:13547565 Reaxys:2568182 Wikipedia:Stigmasterol (22E)-stigmasta-5,22-dien-3beta-ol Stigmasterol stigmasterol chebi_ontology (3beta,22E)-stigmasta-5,22-dien-3-ol 412.69082 5,22-Cholestadien-24-ethyl-3beta-ol C29H48O HCXVJBMSMIARIN-PHZDYDNGSA-N InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C beta-stigmasterol phytosterol poriferasterol stigmasta-5,22-dien-3beta-ol CHEBI:28824 stigmasterol CHEBI:28824 A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. CHEBI:25648 CHEBI:3373 CHEBI:44501 Beilstein:1747180 CAS:124-07-2 DrugBank:DB04519 Gmelin:142966 HMDB:HMDB00482 KEGG:C06423 KEGG:D05220 KNApSAcK:C00001231 LIPID_MAPS_instance:LMFA01010008 MetaCyc:CPD-195 PDBeChem:OCA PMID:16162522 PMID:16872526 PMID:19096058 Reaxys:1747180 Wikipedia:Caprylic_acid Octanoic acid octanoic acid chebi_ontology 1-heptanecarboxylic acid 144.21140 8:0 Acide octanoique Acido octanoico Acidum octanocium C8:0 C8H16O2 CCCCCCCC(O)=O CH3-[CH2]6-COOH Caprylic acid InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) Kaprylsaeure OCTANOIC ACID (CAPRYLIC ACID) Octansaeure Octylic acid WWZKQHOCKIZLMA-UHFFFAOYSA-N acide octanoique acido octanoico acidum octanoicum n-caprylic acid n-octanoic acid n-octoic acid n-octylic acid octanoic acid octoic acid CHEBI:28837 octanoic acid CHEBI:28837 A carotenol that has formula C40H56O2. CHEBI:27324 CHEBI:43817 CHEBI:6576 Beilstein:2068550 CAS:127-40-2 DrugBank:DB00137 HMDB:HMDB03233 KEGG:C08601 KNApSAcK:C00003776 LIPID_MAPS_instance:LMPR01070274 MetaCyc:CPD1F-119 PDBeChem:LUT PMID:10714278 PMID:14670087 PMID:23543147 PMID:24451312 Reaxys:2068550 Wikipedia:Lutein (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol Lutein lutein chebi_ontology (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL 568.87144 Bo-Xan C40H56O2 CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C E 161b InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1 KBPHJBAIARWVSC-RGZFRNHPSA-N Xanthophyll CHEBI:28838 lutein CHEBI:28838 A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. CHEBI:25631 CHEBI:45710 Beilstein:608585 CAS:57-11-4 DrugBank:DB03193 Gmelin:11738 HMDB:HMDB00827 KEGG:C01530 KEGG:D00119 KNApSAcK:C00001238 LIPID_MAPS_instance:LMFA01010018 MetaCyc:STEARIC_ACID PDBeChem:STE PMID:11425337 PMID:16448636 PMID:17439666 PMID:18982377 PMID:19468063 PMID:19838949 PMID:22735334 PMID:26884207 PMID:7763343 Reaxys:608585 Wikipedia:Stearic_acid STEARIC ACID octadecanoic acid chebi_ontology 18:0 284.478 C(CCCCCCCCCC)CCCCCCC(=O)O C18:0 C18H36O2 CH3-[CH2]16-COOH InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) Octadecanoic acid Octadecansaeure Oktadekansaeure QIQXTHQIDYTFRH-UHFFFAOYSA-N Stearate Stearinsaeure acide octadecanoique acide stearique n-octadecanoic acid octadecoic acid CHEBI:28842 stearic acid CHEBI:28842 A primary alcohol that consists of (3Z)-hex-3-ene substituted by a hydroxy group at position 1. CHEBI:20029 CHEBI:6398 CAS:928-96-1 HMDB:HMDB30003 KEGG:C08492 KNApSAcK:C00000356 LIPID_MAPS_instance:LMFA05000059 MetaCyc:CIS-3-HEXENOL PMID:23678819 PMID:23749439 PMID:23923622 PMID:24301200 Reaxys:1719712 Wikipedia:Cis-3-Hexen-1-ol (3Z)-hex-3-en-1-ol chebi_ontology (3Z)-3-Hexen-1-ol (3Z)-hex-3-en-1-ol 100.159 3-Hexen-1-ol, (Z)- Blatteralkohol C6H12O CC/C=C\CCO InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- Leaf alcohol UFLHIIWVXFIJGU-ARJAWSKDSA-N cis-3-Hexen-1-ol CHEBI:28857 (Z)-hex-3-en-1-ol CHEBI:28857 Members of the class of flavans with a 3,4-dihydro-2-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives. CHEBI:13636 CHEBI:24038 CHEBI:24054 MetaCyc:FLAVANONES Wikipedia:Flavanone chebi_ontology 2,3-dihydroflavones 212.15930 C15O2R12 [*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C(=O)C1([*])[*] a flavanone CHEBI:28863 flavanones CHEBI:28863 A C24 straight-chain saturated fatty acid. CHEBI:25467 CHEBI:26892 CHEBI:6458 Beilstein:1728237 CAS:557-59-5 Gmelin:107095 HMDB:HMDB02003 KEGG:C08320 KNApSAcK:C00001223 LIPID_MAPS_instance:LMFA01010024 MetaCyc:TETRACOSANOATE PMID:21781003 PMID:23019902 PMID:23157011 PMID:23394615 PMID:23871298 PMID:24491713 PMID:3174658 Reaxys:1728237 Wikipedia:Lignoceric_acid Tetracosanoic acid tetracosanoic acid chebi_ontology 368.63670 C24H48O2 CCCCCCCCCCCCCCCCCCCCCCCC(O)=O CH3-[CH2]22-COOH InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) Lignoceric acid Lignozerinsaeure QZZGJDVWLFXDLK-UHFFFAOYSA-N Tetracosansaeure n-tetracosanoic acid tetracosanic acid tetracosoic acid tetraeicosanoic acid tetraicosanoic acid CHEBI:28866 tetracosanoic acid CHEBI:28866 The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid. CHEBI:13634 CHEBI:24022 CHEBI:4985 KEGG:C02403 PMID:18628202 Fatty acid anion chebi_ontology 44.00950 Alkanate CO2R Fettsaeureanion Fettsaeureanionen [O-]C([*])=O a fatty acid acido graso anionico acidos grasos anionicos anion de l'acide gras fatty acid anions CHEBI:28868 fatty acid anion CHEBI:28868 A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. CHEBI:26897 CHEBI:278516 CHEBI:44232 CHEBI:7056 CHEBI:73168 Beilstein:508624 CAS:544-63-8 DrugBank:DB08231 Gmelin:242115 HMDB:HMDB00806 KEGG:C06424 KNApSAcK:C00001228 LIPID_MAPS_instance:LMFA01010014 MetaCyc:CPD-7836 PDBeChem:MYR PMID:13129458 PMID:15149689 PMID:16509590 PMID:16554156 PMID:19154695 PMID:19761868 PMID:19786012 PMID:19902021 PMID:19955401 PMID:20634506 PMID:20920594 PMID:21955528 PMID:22030224 PMID:27206979 PMID:6802973 Reaxys:508624 Wikipedia:Myristic_acid Tetradecanoic acid myristic acid chebi_ontology 1-tetradecanecarboxylic acid 14 14:0 14:00 228.37090 C14 C14H28O2 CCCCCCCCCCCCCC(O)=O CH3-[CH2]12-COOH InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) MYRISTIC ACID Myristic acid Myristinsaeure TUNFSRHWOTWDNC-UHFFFAOYSA-N acide tetradecanoique n-Tetradecan-1-oic acid n-Tetradecoic acid n-tetradecanoic acid tetradecoic acid CHEBI:28875 tetradecanoic acid CHEBI:28875 A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. CHEBI:22936 CHEBI:39632 CHEBI:612 Beilstein:969148 CAS:71-36-3 DrugBank:DB02145 Gmelin:25753 HMDB:HMDB04327 KEGG:C06142 KEGG:D03200 MetaCyc:BUTANOL PDBeChem:1BO PMID:23980702 PMID:7096503 Reaxys:969148 Wikipedia:N-Butanol butan-1-ol chebi_ontology 1-BUTANOL 1-Butanol 1-butyl alcohol 1-hydroxybutane 74.12160 BuOH C4H10O CCCCO InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 LRHPLDYGYMQRHN-UHFFFAOYSA-N n-Butanol n-Butylalkohol n-butan-1-ol n-butyl alcohol propyl carbinol CHEBI:28885 butan-1-ol CHEBI:28885 A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. CHEBI:25466 CHEBI:44175 CHEBI:7973 Beilstein:1698194 CAS:629-62-9 DrugBank:DB03715 HMDB:HMDB59886 KEGG:C08388 KNApSAcK:C00001265 LIPID_MAPS_instance:LMFA11000006 MetaCyc:CPD-7946 PDBeChem:MYS PMID:14598162 PMID:15330541 PMID:23847066 PMID:23973758 Reaxys:1698194 Wikipedia:Pentadecane PENTADECANE Pentadecane chebi_ontology 212.41458 C15H32 CCCCCCCCCCCCCCC CH3-[CH2]13-CH3 InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3 Pentadekan YCOZIPAWZNQLMR-UHFFFAOYSA-N n-Pentadecane CHEBI:28897 pentadecane CHEBI:28897 A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. CHEBI:10605 CHEBI:132855 CHEBI:23569 CHEBI:41909 Beilstein:1735221 CAS:112-30-1 Gmelin:218613 HMDB:HMDB11624 KEGG:C01633 KNApSAcK:C00030100 LIPID_MAPS_instance:LMFA05000062 PDBeChem:DE1 PMID:17314143 PMID:18597345 PMID:18601223 PMID:27471068 PMID:5485018 Reaxys:1735221 Wikipedia:1-Decanol decan-1-ol chebi_ontology 1-Decanol 158.281 C(CCCCCCC)CCO C10H22O Decyl alcohol InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 MWKFXSUHUHTGQN-UHFFFAOYSA-N capric alcohol caprinic alcohol n-Decanol n-decan-1-ol n-decyl alcohol nonylcarbinol CHEBI:28903 decan-1-ol CHEBI:28903 A butenolide that has formula C5H4O2. CHEBI:20447 CHEBI:8585 Beilstein:105670 CAS:108-28-1 KEGG:C07090 KNApSAcK:C00000301 UM-BBD_compID:c0298 5-methylenefuran-2(5H)-one Protoanemonin chebi_ontology 4-Methylenebut-2-en-4-olide 5-methylene-2(5H)-furanone 96.08406 C5H4O2 C=C1OC(=O)C=C1 InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2 RNYZJZKPGHQTJR-UHFFFAOYSA-N cis-4-Methylenebut-2-en-4-olide CHEBI:28906 protoanemonin CHEBI:28906 An onium cation obtained by protonation of ammonia. CHEBI:22534 CHEBI:49783 CHEBI:7435 CAS:14798-03-9 Gmelin:84 KEGG:C01342 MetaCyc:AMMONIUM MolBase:929 PDBeChem:NH4 PMID:11319011 PMID:11341317 PMID:12096804 PMID:14512268 PMID:14879753 PMID:16345391 PMID:16903292 PMID:17392693 PMID:18515490 PMID:19199063 PMID:19596600 PMID:19682559 PMID:19716251 PMID:21993530 PMID:22265469 PMID:22524020 PMID:22562341 PMID:22631217 Reaxys:16093784 Wikipedia:Ammonium ammonium azanium chebi_ontology 18.03850 AMMONIUM ION Ammonium(1+) H4N InChI=1S/H3N/h1H3/p+1 NH4(+) NH4+ QGZKDVFQNNGYKY-UHFFFAOYSA-O [H][N+]([H])([H])[H] [NH4](+) CHEBI:28938 ammonium CHEBI:28938 A straight-chain, C22, long-chain saturated fatty acid. CHEBI:25463 CHEBI:3003 Beilstein:1792887 CAS:112-85-6 Gmelin:232293 KEGG:C08281 KNApSAcK:C00001211 LIPID_MAPS_instance:LMFA01010022 PMID:11124748 PMID:12357383 PMID:15716582 PMID:20565070 Reaxys:1792887 Behenic acid docosanoic acid chebi_ontology 1-docosanoic acid 340.58360 Behensaeure C22H44O2 CCCCCCCCCCCCCCCCCCCCCC(O)=O CH3-[CH2]20-COOH Docosanoate Docosanoic acid Docosansaeure Dokosansaeure Heneicosansaeure InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) UKMSUNONTOPOIO-UHFFFAOYSA-N docosanic acid docosoic acid n-docosanoic acid CHEBI:28941 behenic acid CHEBI:28941 Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups. CHEBI:22481 CHEBI:22530 CHEBI:2662 KEGG:C05383 PMID:18424273 PMID:9056391 chebi_ontology Aminosugars amino sugars aminosugar CHEBI:28963 amino sugar CHEBI:28963 A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid. CHEBI:13632 CHEBI:23688 CHEBI:23689 CHEBI:38711 dicarboxylic acid dianion chebi_ontology C2O4R [O-]C(=O)[*]C([O-])=O a dicarboxylate dicarboxylate dicarboxylates dicarboxylic acid dianions CHEBI:28965 dicarboxylic acid dianion CHEBI:28965 CHEBI:13973 CHEBI:23161 CHEBI:3630 CHEBI:3635 CAS:1406-65-1 COMe:MOL000012 KEGG:C01793 Chlorophyll chlorophyll chlorophylls chebi_ontology a chlorophyll CHEBI:28966 chlorophyll CHEBI:28966 A propane-1,2-diol that has formula C3H8O2. CHEBI:18705 CHEBI:352 CHEBI:44863 CAS:4254-14-2 DrugBank:DB02159 KEGG:C02912 PDBeChem:PGR (2R)-propane-1,2-diol (R)-Propane-1,2-diol (R)-propane-1,2-diol chebi_ontology (R)-1,2-Propanediol (R)-Propylene glycol 76.09442 C3H8O2 C[C@@H](O)CO DNIAPMSPPWPWGF-GSVOUGTGSA-N InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1 R-1,2-PROPANEDIOL CHEBI:28972 (R)-propane-1,2-diol CHEBI:28972 A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position. CHEBI:26795 CHEBI:9293 Beilstein:52979 CAS:57-24-9 Gmelin:117894 KEGG:C06522 KNApSAcK:C00001770 KNApSAcK:C00025213 PDBeChem:SY9 PMID:10471592 PMID:10821054 PMID:11024105 PMID:11157095 PMID:11324564 PMID:11327524 PMID:11453337 PMID:11516560 PMID:11900860 PMID:12611967 PMID:12718443 PMID:12742643 PMID:12757728 PMID:14530208 PMID:14552874 PMID:14575889 PMID:15046720 PMID:15275654 PMID:15302677 PMID:15601738 PMID:15610168 PMID:16075189 PMID:16171972 PMID:16887371 PMID:16950410 PMID:17145135 PMID:17365101 PMID:17449162 PMID:17595105 PMID:17827655 PMID:17900376 PMID:18199816 PMID:19071748 PMID:19194159 PMID:19200346 PMID:19394327 PMID:19445923 PMID:19617896 PMID:19628662 PMID:20534469 PMID:20810461 PMID:20837125 PMID:21042643 PMID:21109870 PMID:21468359 PMID:21506420 PMID:21532268 PMID:21616062 PMID:21618309 PMID:21666516 PMID:21726589 PMID:22168233 PMID:22417832 PMID:23395890 PMID:25702781 PMID:25877308 PMID:25958869 PMID:26028680 PMID:26173662 PMID:26223366 PMID:26330182 PMID:26416729 PMID:26556179 PMID:26625339 PMID:9918589 Reaxys:52979 Wikipedia:Strychnine Strychnine strychnidin-10-one chebi_ontology 334.41160 C21H22N2O2 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-N Strychnin [H][C@@]12CC(=O)N3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] CHEBI:28973 strychnine CHEBI:28973 A chalcocarbonic acid that has formula CH2O3. CHEBI:13351 CHEBI:23017 CHEBI:23744 CHEBI:3401 CAS:463-79-6 Gmelin:25554 KEGG:C01353 PDBeChem:CO3 Carbonic acid carbonic acid dihydroxidooxidocarbon chebi_ontology 62.02478 BVKZGUZCCUSVTD-UHFFFAOYSA-N CH2O3 Dihydrogen carbonate H2CO3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) Koehlensaeure OC(O)=O [CO(OH)2] CHEBI:28976 carbonic acid CHEBI:28976 A propane-1,2-diol that has formula C3H8O2. CHEBI:18799 CHEBI:440 CHEBI:45065 DrugBank:DB04349 KEGG:C02917 PDBeChem:PGO (2S)-propane-1,2-diol (S)-Propane-1,2-diol (S)-propane-1,2-diol chebi_ontology (S)-1,2-Propanediol (S)-Propylene glycol 76.09442 C3H8O2 C[C@H](O)CO DNIAPMSPPWPWGF-VKHMYHEASA-N InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 CHEBI:29002 (S)-propane-1,2-diol CHEBI:29002 An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. CHEBI:23472 CHEBI:4009 CHEBI:41506 Beilstein:1900225 CAS:110-82-7 DrugBank:DB03561 Gmelin:1662 HMDB:HMDB29597 KEGG:C11249 MetaCyc:CPD-8923 PDBeChem:CHX PMID:11234809 PMID:24334480 Reaxys:1900225 Wikipedia:Cyclohexane CYCLOHEXANE Cyclohexane cyclohexane chebi_ontology 84.15948 C1CCCCC1 C6H12 Cyclohexan InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 XDTMQSROBMDMFD-UHFFFAOYSA-N hexahydrobenzene hexamethylene hexanaphthene CHEBI:29005 cyclohexane CHEBI:29005 An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. CHEBI:22616 CHEBI:2643 Beilstein:1725411 CAS:7200-25-1 KEGG:C02385 PMID:10848923 Reaxys:1725411 Wikipedia:L-Arginine Arginine arginine chebi_ontology 174.20112 2-Amino-5-guanidinovaleric acid 2-amino-5-(carbamimidamido)pentanoic acid 2-amino-5-guanidinopentanoic acid Arginin C6H14N4O2 Harg InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) NC(CCCNC(N)=N)C(O)=O ODKSFYDXXFIFQN-UHFFFAOYSA-N CHEBI:29016 arginine CHEBI:29016 A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. CHEBI:25861 CHEBI:7616 Beilstein:1752351 CAS:112-05-0 Gmelin:185341 KEGG:C01601 KNApSAcK:C00030829 LIPID_MAPS_instance:LMFA01010009 MetaCyc:CPD-8505 PMID:11413921 PMID:16124228 PMID:19274268 PMID:20673187 Reaxys:1752351 Wikipedia:Nonanoic_acid Nonanoic acid nonanoic acid chebi_ontology 1-nonanoic acid 1-octanecarboxylic acid 158.23800 C9H18O2 CCCCCCCCC(O)=O CH3-[CH2]7-COOH FBUKVWPVBMHYJY-UHFFFAOYSA-N InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) Nonanoate Nonansaeure Pelargonic acid Pelargonsaeure n-nonanoic acid nonoic acid nonylic acid pelargic acid pelargon pergonic acid CHEBI:29019 nonanoic acid CHEBI:29019 An iron cation that has formula Fe. CHEBI:13319 CHEBI:13321 CHEBI:21129 CHEBI:24876 CHEBI:34754 CHEBI:49599 CAS:15438-31-0 Gmelin:6845 KEGG:C14818 PDBeChem:FE2 Iron(2+) iron(2+) iron(2+) ion iron(II) cation chebi_ontology 55.84500 CWYNVVGOOAEACU-UHFFFAOYSA-N FE (II) ION Fe Fe(2+) Fe(II) Fe2+ Ferrous ion InChI=1S/Fe/q+2 [Fe++] iron ion(2+) CHEBI:29033 iron(2+) CHEBI:29033 A divalent metal cation in which the metal is manganese. CHEBI:21435 CHEBI:25156 CHEBI:49749 CAS:16397-91-4 Gmelin:6858 PDBeChem:MN manganese(2+) manganese(2+) ion manganese(II) cation chebi_ontology 54.93805 InChI=1S/Mn/q+2 MANGANESE (II) ION Mn Mn(2+) Mn(II) Mn2+ WAEMQWOKJMHJLA-UHFFFAOYSA-N [Mn++] manganese(II) manganese, ion (Mn2+) manganous ion CHEBI:29035 manganese(2+) CHEBI:29035 An ion of copper carrying a double positive charge. CHEBI:20882 CHEBI:23380 CHEBI:49550 CAS:15158-11-9 Gmelin:6855 PDBeChem:CU PMID:23900424 PMID:24168430 Reaxys:3587177 copper(2+) copper(2+) ion copper(II) cation chebi_ontology 63.54600 COPPER (II) ION Cu Cu(2+) Cu(II) Cu2+ InChI=1S/Cu/q+2 JPVYNHNXODAKFH-UHFFFAOYSA-N [Cu++] copper(II) cation copper, ion (Cu2+) cupric ion CHEBI:29036 copper(2+) CHEBI:29036 The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated. CHEBI:13626 CHEBI:13945 CHEBI:23026 CHEBI:58657 chebi_ontology 44.00950 CO2R [O-]C([*])=O a carboxylate carboxylic acid anions carboxylic anions CHEBI:29067 carboxylic acid anion CHEBI:29067 A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. CHEBI:14832 CHEBI:26093 CHEBI:44902 CHEBI:8174 Beilstein:608199 CAS:88-99-3 DrugBank:DB02746 Gmelin:27343 KEGG:C01606 PDBeChem:PHT PMID:10682108 PMID:15016950 PMID:16804812 PMID:9838120 Reaxys:608199 Wikipedia:Phthalic_acid PHTHALIC ACID Phthalic acid benzene-1,2-dicarboxylic acid phthalic acid chebi_ontology 1,2-Benzenedicarboxylic acid 166.13084 C8H6O4 InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) OC(=O)c1ccccc1C(O)=O XNGIFLGASWRNHJ-UHFFFAOYSA-N o-benzenedicarboxylic acid ortho-phthalic acid CHEBI:29069 phthalic acid CHEBI:29069 CHEBI:14616 CHEBI:25404 CHEBI:6983 KEGG:C02171 Mononucleotide mononucleotide chebi_ontology 213.103 C5H10O7PR mononucleotides CHEBI:29075 mononucleotide CHEBI:29075 A monoatomic monocation obtained from potassium. CHEBI:26219 CHEBI:49685 CHEBI:8345 CAS:24203-36-9 Gmelin:15203 KEGG:C00238 KEGG:D08403 PDBeChem:K potassium cation potassium(1+) potassium(1+) ion potassium(I) cation chebi_ontology 39.09830 InChI=1S/K/q+1 K K(+) K+ NPYPAHLBTDXSSS-UHFFFAOYSA-N POTASSIUM ION [K+] CHEBI:29103 potassium(1+) CHEBI:29103 A zinc cation that has formula Zn. CHEBI:10113 CHEBI:27368 CHEBI:49972 CHEBI:49982 CAS:23713-49-7 Gmelin:6869 KEGG:C00038 PDBeChem:ZN zinc(2+) zinc(2+) ion zinc(II) cation chebi_ontology 65.39000 InChI=1S/Zn/q+2 PTFCDOFLOPIGGS-UHFFFAOYSA-N ZINC ION Zn Zn(2+) Zn(II) Zn2+ [Zn++] dietary zinc zinc cation zinc, ion (Zn2+) CHEBI:29105 zinc(2+) CHEBI:29105 A calcium cation that has formula Ca. CHEBI:22988 CHEBI:3308 CHEBI:48760 CAS:14127-61-8 Gmelin:6850 KEGG:C00076 PDBeChem:CA calcium(2+) calcium(2+) ion calcium(II) cation chebi_ontology 40.07800 BHPQYMZQTOCNFJ-UHFFFAOYSA-N CALCIUM ION Ca Ca(2+) Ca2+ InChI=1S/Ca/q+2 [Ca++] calcium, doubly charged positive ion CHEBI:29108 calcium(2+) CHEBI:29108 A nitrogen hydride that has formula H2N. amide azanide dihydridonitrate(1-) chebi_ontology 16.02262 H2N HYGWNUKOUCZBND-UHFFFAOYSA-N InChI=1S/H2N/h1H2/q-1 NH2(-) [H][N-][H] CHEBI:29337 azanide CHEBI:29337 A divalent inorganic anion resulting from the removal of two protons from ammonia. azanediide hydridonitrate(2-) chebi_ontology 15.01468 DZQYTNGKSBCIOE-UHFFFAOYSA-N HN InChI=1S/HN/h1H/q-2 NH(2-) [N--][H] imide CHEBI:29340 hydridonitrate(2-) CHEBI:29340 A carboxamide derived from a monocarboxylic acid. CHEBI:13211 CHEBI:22207 CHEBI:25383 CHEBI:6977 chebi_ontology 42.01680 CNOR3 [*]N([*])C([*])=O monocarboxylic acid amides CHEBI:29347 monocarboxylic acid amide CHEBI:29347 A monocarboxylic acid amide derived from a fatty acid. CHEBI:13247 CHEBI:22310 CHEBI:22330 CHEBI:2572 CHEBI:35749 CHEBI:38838 KEGG:C02244 LIPID_MAPS_class:LMFA08 fatty amide chebi_ontology Aliphatic amide CHNOR2 fatty amides CHEBI:29348 fatty amide CHEBI:29348 The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. CHEBI:24220 CHEBI:7523 Beilstein:1722454 Beilstein:1722455 CAS:106-25-2 KEGG:C09871 KNApSAcK:C00000855 LIPID_MAPS_instance:LMPR0102010010 MetaCyc:CPD-7978 PMID:23999034 PMID:24269775 PMID:24599108 Patent:CN103342627 Patent:MX2013000640 Reaxys:1722454 Wikipedia:Nerol (2Z)-3,7-dimethylocta-2,6-dien-1-ol Nerol chebi_ontology (2Z)-3,7-dimethyl-2,6-octadien-1-ol (Z)-3,7-Dimethylocta-2,6-dien-1-ol (Z)-3,7-dimethyl-2,6-octadien-1-ol (Z)-geraniol 154.24932 2-cis-3,7-dimethyl-2,6-octadien-1-ol C10H18O CC(C)=CCC\C(C)=C/CO GLZPCOQZEFWAFX-YFHOEESVSA-N InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- cis-3,7-dimethyl-2,6-octadien-1-ol cis-geraniol neryl alcohol CHEBI:29452 nerol CHEBI:29452 A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. CHEBI:11848 CHEBI:14259 CHEBI:24029 MetaCyc:FERULIC-ACID (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ferulate chebi_ontology 193.17606 3-methoxy-4-hydroxy-trans-cinnamate C10H9O4 COc1cc(\C=C\C([O-])=O)ccc1O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-M CHEBI:29749 ferulate CHEBI:29749 A quinate that is the conjugate base of (-)-quinic acid. CHEBI:15000 CHEBI:26489 KEGG:C00296 Reaxys:5029142 (-)-quinate (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate 1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate chebi_ontology 191.15864 AAWZDTNXLSGCEK-WYWMIBKRSA-M C7H11O6 InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1/t3-,4-,5-,7+/m1/s1 L-quinate O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C([O-])=O Quinate CHEBI:29751 (-)-quinate CHEBI:29751 A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) CHEBI:14284 CHEBI:24122 CHEBI:42511 Beilstein:1861276 CAS:142-42-7 DrugBank:DB01677 Gmelin:325288 KEGG:C00122 MetaCyc:FUM PDBeChem:FMR PMID:15618158 PMID:16857679 PMID:17190852 PMID:22052553 PMID:22405071 Reaxys:1861276 UM-BBD_compID:c0111 (2E)-but-2-enedioate chebi_ontology (2E)-but-2-enedioate (E)-2-butenedioic acid, ion(2-) 114.05628 C4H2O4 FUMARATE InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ VZCYOOQTPOCHFL-OWOJBTEDSA-L [O-]C(=O)\C=C\C([O-])=O fumarate CHEBI:29806 fumarate(2-) CHEBI:29806 A dicarboxylic acid dianion that is the conjugate base of glutamate(1-). Beilstein:4134100 Gmelin:327903 Reaxys:4134100 2-aminopentanedioate glutamate glutamate(2-) chebi_ontology 145.11342 C5H7NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2 NC(CCC([O-])=O)C([O-])=O WHUUTDBJXJRKMK-UHFFFAOYSA-L glutamic acid dianion CHEBI:29987 glutamate(2-) CHEBI:29987 An aspartate(1-) that is the conjugate base of D-aspartic acid. CHEBI:12918 CHEBI:20919 Beilstein:8316944 Reaxys:8316944 D-aspartate(1-) hydrogen D-aspartate chebi_ontology (2R)-2-ammoniobutanedioate (2R)-2-ammoniosuccinate 132.09478 C4H6NO4 CKLJMWTZIZZHCS-UWTATZPHSA-M D-aspartate D-aspartic acid monoanion InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m1/s1 [NH3+][C@H](CC([O-])=O)C([O-])=O CHEBI:29990 D-aspartate(1-) CHEBI:29990 An aspartate(1-) that is the conjugate base of L-aspartic acid. CHEBI:13085 CHEBI:21244 Gmelin:327374 Reaxys:15801578 L-aspartate(1-) hydrogen L-aspartate chebi_ontology (2S)-2-ammoniobutanedioate (2S)-2-ammoniosuccinate 132.09478 C4H6NO4 CKLJMWTZIZZHCS-REOHCLBHSA-M InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 L-aspartate L-aspartic acid monoanion [NH3+][C@@H](CC([O-])=O)C([O-])=O CHEBI:29991 L-aspartate(1-) CHEBI:29991 An aspartate(2-) that is the conjugate base of L-aspartate(1-). Beilstein:4133557 Gmelin:327367 Reaxys:4133557 (2S)-2-aminobutanedioate L-aspartate L-aspartate(2-) chebi_ontology (2S)-2-aminosuccinate 131.08684 C4H5NO4 CKLJMWTZIZZHCS-REOHCLBHSA-L InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1 L-aspartic acid dianion N[C@@H](CC([O-])=O)C([O-])=O CHEBI:29993 L-aspartate(2-) CHEBI:29993 An aspartate(2-) that is the conjugate base of D-aspartate(1-). Gmelin:327368 Reaxys:14495011 (2R)-2-aminobutanedioate D-aspartate D-aspartate(2-) chebi_ontology (2R)-2-aminosuccinate 131.08684 C4H5NO4 CKLJMWTZIZZHCS-UWTATZPHSA-L D-aspartic acid dianion InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1 N[C@H](CC([O-])=O)C([O-])=O CHEBI:29994 D-aspartate(2-) CHEBI:29994 A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid. 2-aminobutanedioate aspartate aspartate(2-) chebi_ontology 131.08684 2-aminosuccinate C4H5NO4 CKLJMWTZIZZHCS-UHFFFAOYSA-L InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2 NC(CC([O-])=O)C([O-])=O aspartic acid dianion CHEBI:29995 aspartate(2-) CHEBI:29995 A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid. CHEBI:15125 CHEBI:22941 CHEBI:26803 Beilstein:1863859 CAS:56-14-4 Gmelin:240255 MetaCyc:SUC PMID:17190852 Reaxys:1863859 UM-BBD_compID:c0312 butanedioate chebi_ontology (-)OOC-CH2-CH2-COO(-) 116.07216 C4H4O4 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2 KDYFGRWQOYBRFD-UHFFFAOYSA-L [O-]C(=O)CCC([O-])=O butanedioic acid, ion(2-) succinate CHEBI:30031 succinate(2-) CHEBI:30031 A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid. CHEBI:13704 CHEBI:22165 CHEBI:40480 Beilstein:1901470 CAS:71-50-1 DrugBank:DB03166 Gmelin:1379 KEGG:C00033 MetaCyc:ACET PDBeChem:ACT PMID:17190852 PMID:22211106 PMID:22371380 Reaxys:1901470 UM-BBD_compID:c0050 Wikipedia:Acetate acetate chebi_ontology 59.04402 ACETATE ION Azetat C2H3O2 CC([O-])=O CH3-COO(-) Ethanoat InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 MeCO2 anion QTBSBXVTEAMEQO-UHFFFAOYSA-M acetic acid, ion(1-) ethanoate CHEBI:30089 acetate CHEBI:30089 A monoatomic boron that has formula B. CAS:14594-80-0 Gmelin:39354 boron(1+) boron(1+) ion boron(I) cation chebi_ontology 10.81100 B B(+) Boron cation Boron, ion (B1+) HYFJXBYGHMZZPQ-UHFFFAOYSA-N InChI=1S/B/q+1 [B+] CHEBI:30165 boron(1+) CHEBI:30165 A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. CHEBI:132836 CHEBI:31745 CAS:480-10-4 HMDB:HMDB37429 KEGG:C12249 KNApSAcK:C00005138 LIPID_MAPS_instance:LMPK12111725 MetaCyc:CPD1F-453 PMID:21329934 PMID:21466157 PMID:22210036 PMID:22489129 PMID:22766709 Reaxys:1359980 Wikipedia:Astragalin 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one Kaempferol 3-O-beta-D-glucoside chebi_ontology 3,4',5,7-Tetrahydroxyflavone-3-glucoside 448.378 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside Astragalin C1(=C(C(C2=C(C=C(C=C2O1)O)O)=O)O[C@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O)O)C=4C=CC(O)=CC4 C21H20O11 InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 JPUKWEQWGBDDQB-QSOFNFLRSA-N Kaempferol 3-O-glucoside astragaline kaempferol-3-O-beta-glucopyranoside CHEBI:30200 kaempferol 3-O-beta-D-glucoside CHEBI:30200 A monoatomic phosphorus that has formula P. CAS:7723-14-0 monophosphorus phosphorus(.) chebi_ontology 30.97376 InChI=1S/P OAICVXFJPJFONN-UHFFFAOYSA-N P P(.) [P] phosphorus atom CHEBI:30207 phosphorus(.) CHEBI:30207 A monoatomic fluorine that has formula F. CAS:14701-13-4 Gmelin:15174 fluorine(1+) chebi_ontology 18.99840 F F(+) Fluorine cation InChI=1S/F/q+1 LMHDQOWNISVSPD-UHFFFAOYSA-N [F+] CHEBI:30240 fluorine(1+) CHEBI:30240 An octadecadienoate with cis- double bonds at the 9- and 12- positions; the conjugate base of linoleic acid. CHEBI:12272 CHEBI:14515 CHEBI:20826 Beilstein:4139597 CAS:1509-85-9 Gmelin:667201 KEGG:C01595 MetaCyc:LINOLEIC_ACID Reaxys:4139597 (9Z,12Z)-octadeca-9,12-dienoate chebi_ontology (9Z,12Z)-9,12-octadecadienoic acid, ion(1-) (9Z,12Z)-octadecadienoate (Z,Z)-9,12-octadecadienoic acid, ion(1-) 279.43754 C18H31O2 CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9- OYHQOLUKZRVURQ-HZJYTTRNSA-M cis,cis-9,12-octadecadienoate cis,cis-linoleate cis-Delta(9,12)-octadecadienoate linoleic acid, ion(1-) CHEBI:30245 linoleate CHEBI:30245 isopropyl propan-2-yl chebi_ontology (CH3)2CH- -CH(CH3)2 1-methylethyl 43.08768 C3H7 iPr valine side-chain CHEBI:30353 isopropyl group CHEBI:30353 2-methylpropan-1-ido 2-methylpropyl isobutyl chebi_ontology (CH3)2CH-CH2- -CH2-CH(CH3)2 57.11426 C4H9 iBu leucine side-chain CHEBI:30356 isobutyl group CHEBI:30356 An alkane that is propane substituted by a methyl group at position 2. Beilstein:1730720 CAS:75-28-5 Gmelin:1301 KEGG:D04623 PMID:24179026 PMID:24464945 Reaxys:1730720 Wikipedia:Isobutane 2-methylpropane isobutane chebi_ontology (CH3)2CH-CH3 58.12220 C4H10 CC(C)C E943b InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3 NNPPMTNAJDCUHE-UHFFFAOYSA-N R-600a CHEBI:30363 isobutane CHEBI:30363 CHEBI:23856 CHEBI:4665 KEGG:C00572 chebi_ontology 0.00000 Divalent cation [*++] divalent cation divalent inorganic cations monoatomic dications CHEBI:30412 monoatomic dication CHEBI:30412 A copper group element atom that has formula Ag. CAS:7440-22-4 WebElements:Ag silver chebi_ontology 107.86820 47Ag Ag BQCADISMDOOEFD-UHFFFAOYSA-N InChI=1S/Ag Silber [Ag] argent argentum plata silver CHEBI:30512 silver atom CHEBI:30512 An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid. CHEBI:11961 CHEBI:20317 Beilstein:3536873 Gmelin:559138 KEGG:C00334 PMID:12509893 Reaxys:3536873 4-aminobutanoate chebi_ontology 102.11186 4-Amino-butyrat 4-Aminobutylate 4-aminobutanoic acid ion (1-) 4-aminobutyrate BTCSSZJGUNDROE-UHFFFAOYSA-M C4H8NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1 NCCCC([O-])=O gamma-aminobutanoate gamma-aminobutyrate anion CHEBI:30566 gamma-aminobutyrate CHEBI:30566 An elemental silicon that has formula Si. CAS:14067-07-3 silicon(1+) silicon(1+) ion silicon(I) cation chebi_ontology 28.08550 FSLGCYNKXXIWGJ-UHFFFAOYSA-N InChI=1S/Si/q+1 Si Si(+) Silicon cation [Si+] CHEBI:30582 silicon(1+) CHEBI:30582 A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid. CHEBI:14702 CHEBI:25729 CHEBI:44820 Beilstein:1905970 CAS:338-70-5 Gmelin:2207 KEGG:C00209 PDBeChem:OXL Reaxys:1905970 UM-BBD_compID:c0017 ethanedioate chebi_ontology 88.01900 C2O4 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2 MUBZPKHOEPUJKR-UHFFFAOYSA-L OXALATE ION [O-]C(=O)C([O-])=O ethanedioic acid, ion(2-) ox oxalate CHEBI:30623 oxalate(2-) CHEBI:30623 A bisbenzylisoquinoline alkaloid that has formula C37H40N2O6. CAS:478-61-5 KEGG:C09357 KNApSAcK:C00001817 Berbamine chebi_ontology 608.725 C37H40N2O6 COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4 DFOCUWZXJBAUSQ-URLMMPGGSA-N InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1 CHEBI:3063 Berbamine CHEBI:3063 A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively CHEBI:25068 CHEBI:6512 Beilstein:4887090 CAS:22255-40-9 KEGG:C01512 KNApSAcK:C00010604 (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Loganic acid chebi_ontology 376.35576 C16H24O10 InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1 JNNGEAWILNVFFD-CDJYTOATSA-N [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CHEBI:30632 loganic acid CHEBI:30632 A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. CHEBI:25977 CHEBI:44686 CHEBI:8085 Beilstein:1099647 CAS:103-82-2 ECMDB:ECMDB04128 Gmelin:68976 HMDB:HMDB00209 KEGG:C07086 KNApSAcK:C00000750 MetaCyc:PHENYLACETATE PDBeChem:PAC PMID:12147706 PMID:12569987 PMID:15057459 PMID:15506622 PMID:15646820 PMID:17622769 PMID:2083978 PMID:24587751 PMID:24631718 PMID:7544181 PMID:7716788 Reaxys:1099647 Wikipedia:Phenylacetic_acid YMDB:YMDB00891 Phenylacetic acid phenylacetic acid chebi_ontology 136.14792 2-PHENYLACETIC ACID 2-Phenylethanoic acid Benzeneacetic acid Benzylformic acid C8H8O2 InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) OC(=O)Cc1ccccc1 Omega-Phenylacetic acid PA WLJVXDMOQOGPHL-UHFFFAOYSA-N alpha-toluic acid benzeneacetic acid omega-phenylacetic acid CHEBI:30745 phenylacetic acid CHEBI:30745 A compound comprising a benzene ring core carrying a carboxylic acid substituent. CHEBI:22722 CHEBI:3029 CHEBI:41051 Beilstein:636131 CAS:65-85-0 DrugBank:DB03793 Gmelin:2946 HMDB:HMDB01870 KEGG:C00180 KEGG:C00539 KEGG:D00038 KNApSAcK:C00000207 LINCS:LSM-37118 MetaCyc:BENZOATE PDBeChem:BEZ PMID:16728954 PMID:17439666 PMID:18314336 Reaxys:636131 Wikipedia:Benzoic_Acid YMDB:YMDB02301 BENZOIC ACID Benzoic acid benzoic acid chebi_ontology 122.12130 Aromatic carboxylic acid Benzenecarboxylic acid Benzeneformic acid Benzenemethanoic acid Benzoesaeure C7H6O2 Dracylic acid E210 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) OC(=O)c1ccccc1 Phenylcarboxylic acid Phenylformic acid WPYMKLBDIGXBTP-UHFFFAOYSA-N acide benzoique CHEBI:30746 benzoic acid CHEBI:30746 The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. CHEBI:24082 CHEBI:42460 CHEBI:5145 Beilstein:1209246 CAS:64-18-6 DrugBank:DB01942 Gmelin:1008 HMDB:HMDB00142 KEGG:C00058 KNApSAcK:C00001182 LIPID_MAPS_instance:LMFA01010040 MetaCyc:FORMATE PDBeChem:FMT PMID:12591956 PMID:14637377 PMID:15811469 PMID:16120414 PMID:16185830 PMID:16222862 PMID:16230297 PMID:16445901 PMID:16465784 PMID:18034701 PMID:18397576 PMID:22080171 PMID:22280475 PMID:22304812 PMID:22385261 PMID:22447125 PMID:22483350 PMID:22499553 PMID:22540994 PMID:22606986 PMID:22622393 PMID:3946945 PMID:7361809 Patent:CN101481304 Reaxys:1209246 Wikipedia:Formic_acid FORMIC ACID Formic acid formic acid chebi_ontology 46.02538 Acide formique Ameisensaeure BDAGIHXWWSANSR-UHFFFAOYSA-N CH2O2 H-COOH HCO2H HCOOH InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) Methanoic acid [H]C(O)=O aminic acid bilorin formylic acid hydrogen carboxylic acid methoic acid CHEBI:30751 formic acid CHEBI:30751 A monohydroxybenzoate that is the conjugate base of salicylic acid. CHEBI:15061 CHEBI:26595 Beilstein:3605209 CAS:63-36-5 Gmelin:3417 KEGG:C00805 PMID:16669002 PMID:16934829 Reaxys:3605209 UM-BBD_compID:c0043 2-hydroxybenzoate Salicylate salicylate chebi_ontology 137.11280 2-hydroxybenzoic acid ion(1-) C7H5O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1 Oc1ccccc1C([O-])=O YGSDEFSMJLZEOE-UHFFFAOYSA-M o-hydroxybenzoate sal CHEBI:30762 salicylate CHEBI:30762 A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. CHEBI:26304 CHEBI:45227 CHEBI:8476 Beilstein:506071 CAS:79-09-4 DrugBank:DB03766 Gmelin:1821 KEGG:C00163 KEGG:D02310 LIPID_MAPS_instance:LMFA01010003 PDBeChem:PPI PMID:15868474 PMID:1628870 PMID:16763906 Propionic acid propanoic acid propionic acid chebi_ontology 74.07850 C3H6O2 CCC(O)=O CH3-CH2-COOH InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) PA PROPANOIC ACID Propanoic acid Propionsaeure XBDQKXXYIPTUBI-UHFFFAOYSA-N acide propanoique acide propionique carboxyethane ethanecarboxylic acid ethylformic acid metacetonic acid methylacetic acid propioic acid propoic acid pseudoacetic acid CHEBI:30768 propionic acid CHEBI:30768 A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. CHEBI:23322 CHEBI:3727 CHEBI:41523 Beilstein:782061 CAS:77-92-9 DrugBank:DB04272 Gmelin:4240 HMDB:HMDB00094 KEGG:C00158 KEGG:D00037 KNApSAcK:C00007619 MetaCyc:CIT PDBeChem:CIT PMID:11762832 PMID:11782123 PMID:11857437 PMID:14537820 PMID:15311880 PMID:15934243 PMID:16232627 PMID:17190852 PMID:17357118 PMID:17604395 PMID:18298573 PMID:18960216 PMID:19288211 PMID:22115968 PMID:22192423 PMID:22264346 PMID:22373571 PMID:22509852 Reaxys:782061 Wikipedia:Citric_Acid 2-hydroxypropane-1,2,3-tricarboxylic acid CITRIC ACID Citric acid citric acid chebi_ontology 192.12350 2-Hydroxy-1,2,3-propanetricarboxylic acid 2-Hydroxytricarballylic acid 3-Carboxy-3-hydroxypentane-1,5-dioic acid C6H8O7 Citronensaeure E330 H3cit InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N OC(=O)CC(O)(CC(O)=O)C(O)=O CHEBI:30769 citric acid CHEBI:30769 A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. CHEBI:113450 CHEBI:22948 CHEBI:3234 CHEBI:41208 Beilstein:906770 CAS:107-92-6 DrugBank:DB03568 Gmelin:26242 HMDB:HMDB00039 KEGG:C00246 KNApSAcK:C00001180 LIPID_MAPS_instance:LMFA01010004 MetaCyc:BUTYRIC_ACID PDBeChem:BUA PMID:10736622 PMID:10956204 PMID:11201044 PMID:11208715 PMID:11238216 PMID:11305323 PMID:12068484 PMID:13678314 PMID:14962641 PMID:1542095 PMID:15809727 PMID:15810631 PMID:15938880 PMID:19318247 PMID:19366864 PMID:19703412 PMID:21699495 PMID:22038864 PMID:22194341 PMID:22322557 PMID:22339023 PMID:22466881 Reaxys:906770 Wikipedia:Butyric_acid Butyric acid butanoic acid butyric acid chebi_ontology 1-butanoic acid 1-butyric acid 1-propanecarboxylic acid 4:0 88.10510 BUTANOIC ACID Butanoate Butanoic acid Buttersaeure C4:0 C4H8O2 CCCC(O)=O CH3-[CH2]2-COOH FERIUCNNQQJTOY-UHFFFAOYSA-N InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) acide butanoique acide butyrique butanic acid butanoic acid butoic acid ethylacetic acid n-butanoic acid n-butyric acid propanecarboxylic acid propylformic acid CHEBI:30772 butyric acid CHEBI:30772 A C6, straight-chain saturated fatty acid. CHEBI:24571 CHEBI:40213 CHEBI:5702 Beilstein:773837 CAS:142-62-1 ECMDB:ECMDB21229 Gmelin:185066 HMDB:HMDB00535 KEGG:C01585 KNApSAcK:C00001218 LIPID_MAPS_instance:LMFA01010006 MetaCyc:HEXANOATE PDBeChem:6NA PMID:10685018 PMID:1556177 PMID:24357269 PMID:24924750 Reaxys:773837 Wikipedia:Hexanoic_acid YMDB:YMDB01424 HEXANOIC ACID Hexanoic acid hexanoic acid chebi_ontology 1-hexanoic acid 1-pentanecarboxylic acid 116.15830 6:0 C6:0 C6H12O2 CCCCCC(O)=O CH3-[CH2]4-COOH FUZZWVXGSFPDMH-UHFFFAOYSA-N Hexanoate Hexylic acid InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) Pentanecarboxylic acid butylacetic acid caproic acid capronic acid hexoic acid n-Caproic acid n-hexanoic acid n-hexoic acid n-hexylic acid pentiformic acid pentylformic acid CHEBI:30776 hexanoic acid CHEBI:30776 A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. CHEBI:24180 CHEBI:5268 Beilstein:2050274 CAS:149-91-7 Gmelin:27336 HMDB:HMDB05807 KEGG:C01424 KNApSAcK:C00002647 LINCS:LSM-37191 MetaCyc:CPD-183 PMID:11032918 PMID:14598907 PMID:17426744 PMID:18314336 PMID:19812218 PMID:20441561 PMID:24010549 PMID:24342507 Reaxys:2050274 Wikipedia:Gallic_acid 3,4,5-trihydroxybenzoic acid Gallic acid chebi_ontology 170.11954 3,4,5-Trihydroxybenzoic acid 3,4,5-trihydroxybenzoic acid C7H6O5 InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N OC(=O)c1cc(O)c(O)c(O)c1 Pyrogallol-5-carboxylic acid CHEBI:30778 gallic acid CHEBI:30778 A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxy groups of succinic acid. Beilstein:3904279 Gmelin:325292 Reaxys:3904279 3-carboxypropanoate chebi_ontology 117.08010 Butanedioic acid, conjugate base C4H5O4 HOOC-CH2-CH2-COO(-) InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1 KDYFGRWQOYBRFD-UHFFFAOYSA-M OC(=O)CCC([O-])=O hydrogen succinate CHEBI:30779 succinate(1-) CHEBI:30779 An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. CHEBI:25132 CHEBI:44060 CHEBI:6660 Beilstein:1751370 CAS:141-82-2 DrugBank:DB02175 Gmelin:2550 HMDB:HMDB00691 KEGG:C00383 KNApSAcK:C00001193 LIPID_MAPS_instance:LMFA01170041 MetaCyc:MALONATE PDBeChem:MLA PMID:22770225 Reaxys:1751370 Wikipedia:Malonic_acid MALONIC ACID Malonic acid propanedioic acid chebi_ontology 104.06146 C3H4O4 H2malo HOOC-CH2-COOH InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OC(=O)CC(O)=O OFOBLEOULBTSOW-UHFFFAOYSA-N Propanedioic acid CHEBI:30794 malonic acid CHEBI:30794 A dicarboxylic acid monoanion that has formula C3H3O4. Beilstein:3904186 Gmelin:324637 carboxyacetate chebi_ontology 103.05352 C3H3O4 HOOC-CH2-COO(-) Hmalo InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-1 Malonic acid, conjugate base OC(=O)CC([O-])=O OFOBLEOULBTSOW-UHFFFAOYSA-M CHEBI:30795 malonate(1-) CHEBI:30795 A phthalate that is the conjugate base of phthalic acid. Beilstein:1876115 Gmelin:328025 Reaxys:1876115 2-carboxybenzoate chebi_ontology 165.12290 C8H5O4 InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1 OC(=O)c1ccccc1C([O-])=O XNGIFLGASWRNHJ-UHFFFAOYSA-M hydrogen phthalate CHEBI:30800 phthalate(1-) CHEBI:30800 A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil. CHEBI:23864 CHEBI:23865 CHEBI:41882 CHEBI:4680 Beilstein:1099477 CAS:143-07-7 DrugBank:DB03017 Gmelin:103520 HMDB:HMDB00638 KEGG:C02679 KNApSAcK:C00001221 LIPID_MAPS_instance:LMFA01010012 MetaCyc:DODECANOATE PDBeChem:DAO PMID:19387482 PMID:26884207 Reaxys:1099477 UM-BBD_compID:c0566 Wikipedia:Lauric_acid Dodecanoic acid dodecanoic acid chebi_ontology 1-undecanecarboxylic acid 200.31780 ABL C12 fatty acid C12:0 C12H24O2 CCCCCCCCCCCC(O)=O CH3-[CH2]10-COOH Coconut oil fatty acids DAO Dodecylcarboxylate Dodecylic acid Duodecyclic acid Duodecylic acid InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) LAURIC ACID Lauric acid Laurinsaeure Laurostearic acid N-dodecanoic acid POULHZVOKOAJMA-UHFFFAOYSA-N Undecane-1-carboxylic acid Vulvic acid dodecoic acid lauric acid n-dodecanoic acid CHEBI:30805 dodecanoic acid CHEBI:30805 A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. CHEBI:35292 Beilstein:3589340 Gmelin:335122 KEGG:C06424 Reaxys:3589340 Tetradecanoate tetradecanoate chebi_ontology 1-tetradecanecarboxylate 227.364 C(CCCCCCCC)CCCCC([O-])=O C14H27O2 CH3-[CH2]12-COO(-) InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1 TUNFSRHWOTWDNC-UHFFFAOYSA-M myristate n-tetradecan-1-oate n-tetradecoate tetradecoate CHEBI:30807 tetradecanoate CHEBI:30807 A C10, straight-chain saturated fatty acid. CHEBI:23572 CHEBI:41906 CHEBI:4347 Beilstein:1754556 CAS:334-48-5 DrugBank:DB03600 ECMDB:ECMDB21204 Gmelin:69184 HMDB:HMDB00511 KEGG:C01571 KNApSAcK:C00001213 LIPID_MAPS_instance:LMFA01010010 MetaCyc:CPD-3617 PDBeChem:DKA PMID:19168249 PMID:20661498 PMID:24284257 PMID:24357269 YMDB:YMDB00677 DECANOIC ACID Decanoic acid decanoic acid chebi_ontology 1-nonanecarboxylic acid 10:0 172.265 C(CCCCCC)CCC(=O)O C10:0 C10H20O2 CH3-[CH2]8-COOH Decanoate Decylic acid Dekansaeure GHVNFZFCNZKVNT-UHFFFAOYSA-N InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) Kaprinsaeure capric acid caprinic acid decoic acid n-Capric acid n-decanoic acid n-decoic acid n-decylic acid CHEBI:30813 decanoic acid CHEBI:30813 A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. CHEBI:27278 CHEBI:9933 Beilstein:2208364 CAS:121-34-6 DrugBank:DB02130 Gmelin:1472811 HMDB:HMDB00484 KEGG:C06672 KNApSAcK:C00002682 PDBeChem:VNL PMID:20482617 PMID:24078147 PMID:24314059 YMDB:YMDB01802 4-hydroxy-3-methoxybenzoic acid Vanillic acid chebi_ontology 168.14672 4-Hydroxy-3-methoxybenzoic acid C8H8O4 COc1cc(ccc1O)C(O)=O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N CHEBI:30816 vanillic acid CHEBI:30816 A C18, long straight-chain monounsaturated fatty acid anion; and the conjugate base of oleic acid, arising from deprotonation of the carboxylic acid group. CHEBI:14684 CHEBI:25663 Beilstein:1913148 CAS:115-06-0 Gmelin:344067 PMID:12429352 Reaxys:1913148 (9Z)-octadec-9-enoate chebi_ontology (9Z)-octadecenoate (Z)-9-octadecenoic acid, ion(1-) 281.45342 C18H33O2 CCCCCCCC\C=C/CCCCCCCC([O-])=O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9- Oleat ZQPPMHVWECSIRJ-KTKRTIGZSA-M cis-9-octadecenoate oleic acid anion CHEBI:30823 oleate CHEBI:30823 A furoic acid having the carboxylic acid group located at position 2. CHEBI:1101 CHEBI:19583 CHEBI:42470 Beilstein:110149 CAS:88-14-2 Gmelin:3056 HMDB:HMDB00617 KEGG:C01546 KNApSAcK:C00000151 PMID:12587683 PMID:16306695 PMID:18492059 PMID:19938546 PMID:20393580 PMID:22031465 PMID:23421908 Reaxys:110149 Wikipedia:2-Furoic_acid 2-FUROIC ACID 2-Furoic acid 2-furoic acid furan-2-carboxylic acid chebi_ontology 112.08350 2-Furancarboxylic acid 2-carboxyfuran 2-furanoic acid C5H4O3 Furan-2-carbonsaeure InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7) OC(=O)c1ccco1 Pyromucic acid SMNDYUVBFMFKNZ-UHFFFAOYSA-N acide 2-furoique acido 2-furoico alpha-furancarboxylic acid alpha-furoic acid CHEBI:30845 2-furoic acid CHEBI:30845 A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. CAS:473-98-3 HMDB:HMDB36838 KEGG:C08618 KNApSAcK:C00003740 PMID:10075776 PMID:19222115 PMID:19537177 PMID:19821831 PMID:21537960 PMID:21598174 PMID:21643657 PMID:21647548 PMID:22864237 PMID:22978210 PMID:22978211 PMID:23017394 PMID:23158079 PMID:23203108 PMID:23267736 Reaxys:2064515 Wikipedia:Betulin (3beta)-lup-20(29)-ene-3,28-diol chebi_ontology 442.71680 Betuline Betulinol Betulol C30H50O2 FVWJYYTZTCVBKE-ROUWMTJPSA-N InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 Trochol [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(CO)CC[C@@H](C(C)=C)[C@]21[H] CHEBI:3086 betulin CHEBI:3086 A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties. CHEBI:65491 CAS:472-15-1 HMDB:HMDB30094 KEGG:C08619 KNApSAcK:C00003741 LIPID_MAPS_instance:LMPR0106140004 PMID:14595673 PMID:15083202 PMID:20075711 PMID:7489361 PMID:8176401 Patent:RU2445317 Patent:RU2458933 Patent:US2012237629 Reaxys:2711110 Wikipedia:Betulinic_acid 3beta-hydroxylup-20(29)-en-28-oic acid Betulinic acid chebi_ontology 456.70030 C30H48O3 InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 Mairin QGJZLNKBHJESQX-FZFNOLFKSA-N [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O CHEBI:3087 betulinic acid CHEBI:3087 A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom. CHEBI:13804 CHEBI:22288 CHEBI:2553 KEGG:C00069 Alcohol alcohols chebi_ontology HOR O[*] an alcohol CHEBI:30879 alcohol CHEBI:30879 An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle. CHEBI:1253 CHEBI:19749 CHEBI:40661 Beilstein:1705689 CAS:328-50-7 DrugBank:DB02926 Gmelin:602480 HMDB:HMDB00208 KEGG:C00026 KNApSAcK:C00000769 MetaCyc:2-KETOGLUTARATE PDBeChem:AKG PMID:17439666 PMID:18990406 PMID:20155414 PMID:20200292 PMID:20583149 PMID:20636327 PMID:21964641 Reaxys:1705689 Wikipedia:Alpha-Ketoglutaric_acid 2-oxopentanedioic acid chebi_ontology 146.09810 2-Ketoglutaric acid C5H6O5 InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) KPGXRSRHYNQIFN-UHFFFAOYSA-N OC(=O)CCC(=O)C(O)=O Oxoglutaric acid alpha-Ketoglutaric acid alpha-ketoglutaric acid CHEBI:30915 2-oxoglutaric acid CHEBI:30915 A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid. Beilstein:4132418 Gmelin:2159365 Reaxys:4132418 4-carboxy-2-oxobutanoate chebi_ontology 145.09020 2-ketoglutarate C5H5O5 InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-1 KPGXRSRHYNQIFN-UHFFFAOYSA-M OC(=O)CCC(=O)C([O-])=O CHEBI:30916 2-oxoglutarate(1-) CHEBI:30916 A dicarboxylic acid dianion obtained by deprotonation of both the carboxy groups of glutaric acid. CHEBI:14322 CHEBI:24327 Beilstein:3904695 Gmelin:240388 Reaxys:3904695 pentanedioate chebi_ontology 130.09874 C5H6O4 InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2 JFCQEDHGNNZCLN-UHFFFAOYSA-L [O-]C(=O)CCCC([O-])=O glutarate CHEBI:30921 glutarate(2-) CHEBI:30921 A tartaric acid anion that is the conjugate base of 3-carboxy-2,3-dihydroxypropanoate. CHEBI:26850 Beilstein:1876435 2,3-dihydroxybutanedioate chebi_ontology 148.07096 2,3-dihydroxysuccinate C4H4O6 FEWJPZIEWOKRBE-UHFFFAOYSA-L InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2 OC(C(O)C([O-])=O)C([O-])=O tartrate CHEBI:30929 2,3-dihydroxybutanedioate CHEBI:30929 A C28, very long straight-chain, saturated fatty acid. CHEBI:132862 Beilstein:1801616 CAS:506-48-9 HMDB:HMDB02348 LIPID_MAPS_instance:LMFA01010028 PMID:15376388 PMID:15847942 PMID:24218964 PMID:2474624 Reaxys:1801616 Wikipedia:Montanic_acid octacosanoic acid chebi_ontology 1-octacosanoic acid 424.744 C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)=O C28H56O2 CH3-[CH2]26-COOH InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30) Octacosancarbonsaeure Octacosansaeure UTOPWMOLSKOLTQ-UHFFFAOYSA-N montanic acid n-octacosanoic acid n-octaeicosanoic acid octacosoic acid octaeicosanoic acid CHEBI:31001 octacosanoic acid CHEBI:31001 A very long straight-chain saturated fatty acid anion and the conjugate base of octacosanoic acid (montanic acid), arising from deprotonation of the carboxy group. PMID:15513825 octacosanoate chebi_ontology 1-octacosanoate 423.736 C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC([O-])=O C28H55O2 CH3-[CH2]26-COO(-) InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)/p-1 UTOPWMOLSKOLTQ-UHFFFAOYSA-M montanate n-octacosanoate octaeicosanoate CHEBI:31002 octacosanoate CHEBI:31002 A C30, very long straight-chain, saturated fatty acid. Beilstein:1803689 CAS:506-50-3 Gmelin:1622816 LIPID_MAPS_instance:LMFA01010030 Reaxys:1803689 melissic acid triacontanoic acid chebi_ontology 1-triacontanoic acid 452.79620 C30H60O2 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O CH3-[CH2]28-COOH InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32) Triacontansaeure VHOCUJPBKOZGJD-UHFFFAOYSA-N myricic acid n-triacontanoic acid triacontoic acid CHEBI:31003 melissic acid CHEBI:31003 A very long straight-chain saturated fatty acid anion that is the conjugate base of melissic acid, arising from deprotonation of the carboxylic acid group. Gmelin:383247 triacontanoate chebi_ontology 451.78826 C30H59O2 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CH3-[CH2]28-COO(-) InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)/p-1 Triacontanoat VHOCUJPBKOZGJD-UHFFFAOYSA-M n-triacontanoate triacontanoate triacontoate CHEBI:31004 melissate CHEBI:31004 A 26-carbon, straight-chain, saturated fatty acid. Beilstein:1799681 CAS:506-46-7 Gmelin:374172 LIPID_MAPS_instance:LMFA01010026 PMID:1911873 PMID:19135040 Reaxys:1799681 hexacosanoic acid chebi_ontology 396.68990 C26:0 C26H52O2 CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O CH3-[CH2]24-COOH Hexacosansaeure InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28) XMHIUKTWLZUKEX-UHFFFAOYSA-N ceratinic acid ceric acid cerinic acid cerotic acid cerylic acid hexacosoic acid hexaeicosanoic acid n-C26:0 n-hexacosanoic acid CHEBI:31009 hexacosanoic acid CHEBI:31009 The conjugate base of cerotic acid. Gmelin:374171 PMID:3244051 cerotate hexacosanoate chebi_ontology 395.68190 C26H51O2 CCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CH3-[CH2]24-COO(-) InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/p-1 XMHIUKTWLZUKEX-UHFFFAOYSA-M cerate ceratinate cerinate cerylate hexacosanoate n-hexacosanoate CHEBI:31013 cerotate CHEBI:31013 A straight-chain saturated fatty acid anion that is the conjugate base of lignoceric acid, formed by deprotonation of the carboxy group. Gmelin:373325 MetaCyc:TETRACOSANOATE lignocerate tetracosanoate chebi_ontology 367.62880 C24H47O2 CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CH3-[CH2]22-COO(-) InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1 Lignocerat QZZGJDVWLFXDLK-UHFFFAOYSA-M Tetracosanoat n-tetracosanoate tetracosanate tetracosanoate tetracosoate tetraeicosanoate CHEBI:31014 lignocerate CHEBI:31014 A monoterpenoid that has formula C12H20O2. CAS:20347-65-3 KEGG:C11338 KEGG:D09740 KNApSAcK:C00000842 Bornyl acetate chebi_ontology (1R,2S,4R)-(+)-Bornyl acetate 196.286 C12H20O2 CC(=O)O[C@H]1CC2CCC1(C)C2(C)C InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1 KGEKLUUHTZCSIP-YZRBJQDESA-N CHEBI:3151 Bornyl acetate CHEBI:3151 A monoterpenoid indole alkaloid that has formula C23H26N2O4. CAS:357-57-3 KEGG:C09084 KNApSAcK:C00001695 LINCS:LSM-5758 Brucine chebi_ontology 394.464 C23H26N2O4 COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 RRKTZKIUPZVBMF-IBTVXLQLSA-N CHEBI:3193 Brucine CHEBI:3193 A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms. Beilstein:1362907 CAS:112-92-5 HMDB:HMDB02350 KEGG:D01924 LIPID_MAPS_instance:LMFA05000085 MetaCyc:CPD-7873 PMID:21137365 Reaxys:1362907 Wikipedia:Stearyl_alcohol octadecan-1-ol stearyl alcohol chebi_ontology 1-hydroxyoctadecane 1-octadecanol 270.49372 C18H38O CCCCCCCCCCCCCCCCCCO GLDOVTGHNKAZLK-UHFFFAOYSA-N InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 Stearylalkohol n-1-octadecanol n-octadecanol n-octadecyl alcohol octadecan-1-ol octadecanol CHEBI:32154 stearyl alcohol CHEBI:32154 A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity. Beilstein:3904165 Gmelin:329987 nonanoate chebi_ontology 1-nonanoate 1-octanecarboxylate 157.23060 C9H17O2 CCCCCCCCC([O-])=O CH3-[CH2]7-COO(-) FBUKVWPVBMHYJY-UHFFFAOYSA-M InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1 n-nonanoate nonoate nonylate pelargate pelargonate pergonate CHEBI:32361 nonanoate CHEBI:32361 A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates. Beilstein:3903940 CAS:7563-37-3 Gmelin:327115 MetaCyc:CPD-7619 PMID:16141384 Reaxys:3903940 heptanoate chebi_ontology (7:0) 1-hexanecarboxylate 129.17692 C7H13O2 CCCCCCC([O-])=O CH3-[CH2]5-COO(-) InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1 MNWFXJYAOYHMED-UHFFFAOYSA-M enanthate enanthylate heptanoic acid, ion(1-) heptoate heptylate n-heptanoate n-heptoate n-heptylate oenanthate oenanthylate CHEBI:32362 heptanoate CHEBI:32362 A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series. Beilstein:1759287 CAS:112-37-8 Gmelin:102992 HMDB:HMDB00947 KEGG:C17715 LIPID_MAPS_instance:LMFA01010011 PDBeChem:11A PMID:16332663 PMID:1739406 PMID:18516670 Reaxys:1759287 Wikipedia:Undecylic_acid undecanoic acid chebi_ontology 1-decanecarboxylic acid 186.29120 C11H22O2 CCCCCCCCCCC(O)=O CH3-[CH2]9-COOH Hendecanoic acid InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) UDA Undekansaeure ZDPHROOEEOARMN-UHFFFAOYSA-N hendecanoic acid n-undecanoic acid n-undecoic acid n-undecylic acid undecoic acid undecylic acid CHEBI:32368 undecanoic acid CHEBI:32368 A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3. Beilstein:3904444 Gmelin:331364 PMID:1619029 PMID:18852533 PMID:7711892 undecanoate chebi_ontology 1-decanecarboxylate 185.28324 C11H21O2 CCCCCCCCCCC([O-])=O CH3-[CH2]9-COO(-) InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/p-1 ZDPHROOEEOARMN-UHFFFAOYSA-M hendecanoate n-undecanoate n-undecoate n-undecylate undecoate undecylate CHEBI:32369 undecanoate CHEBI:32369 A phenolate anion that is the conjugate base of catecholate(1-). Beilstein:3904566 Gmelin:325876 Reaxys:3904566 benzene-1,2-diolate chebi_ontology 108.09476 C6H4O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-2 YCIMNLLNPGFGHC-UHFFFAOYSA-L [O-]c1ccccc1[O-] cat catecholate CHEBI:32402 catecholate(2-) CHEBI:32402 An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group. Beilstein:3903719 Gmelin:101040 2-aminopropanoate alaninate chebi_ontology 88.08528 C3H6NO2 CC(N)C([O-])=O InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1 QNAYBMKLOCPYGJ-UHFFFAOYSA-M alanine anion CHEBI:32439 alaninate CHEBI:32439 An alpha-amino-acid cation that is the conjugate acid of alanine. Gmelin:362663 1-carboxyethanaminium alaninium chebi_ontology 90.10116 C3H8NO2 CC([NH3+])C(O)=O InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1 QNAYBMKLOCPYGJ-UHFFFAOYSA-O alanine cation CHEBI:32440 alaninium CHEBI:32440 A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group. Beilstein:4128885 Gmelin:363235 Reaxys:4128885 cysteinate(1-) hydrogen cysteinate chebi_ontology 120.15128 2-amino-3-mercaptopropanoate 2-amino-3-sulfanylpropanoate C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1 NC(CS)C([O-])=O XUJNEKJLAYXESH-UHFFFAOYSA-M cys(-) cysteine monoanion CHEBI:32456 cysteinate(1-) CHEBI:32456 An alpha-amino-acid anion that has formula C3H5NO2S. Gmelin:49990 cysteinate cysteinate(2-) chebi_ontology 119.14334 2-amino-3-sulfidopropanoate C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2 NC(C[S-])C([O-])=O XUJNEKJLAYXESH-UHFFFAOYSA-L cysteine dianion CHEBI:32457 cysteinate(2-) CHEBI:32457 An alpha-amino-acid cation that has formula C3H8NO2S. Gmelin:325859 1-carboxy-2-sulfanylethanaminium cysteinium chebi_ontology 1-carboxy-2-mercaptoethanaminium 122.16716 C3H8NO2S H2cys(+) InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1 XUJNEKJLAYXESH-UHFFFAOYSA-O [NH3+]C(CS)C(O)=O cysteine cation CHEBI:32458 cysteinium CHEBI:32458 An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group. Gmelin:329083 phenylalaninate chebi_ontology 164.18120 2-amino-3-phenylpropanoate C9H10NO2 COLNVLDHVKWLRT-UHFFFAOYSA-M InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1 NC(Cc1ccccc1)C([O-])=O phenylalanine anion CHEBI:32504 phenylalaninate CHEBI:32504 An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group. phenylalaninium chebi_ontology 1-carboxy-2-phenylethanaminium 166.19710 C9H12NO2 COLNVLDHVKWLRT-UHFFFAOYSA-O InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1 [NH3+]C(Cc1ccccc1)C(O)=O phenylalanine cation CHEBI:32505 phenylalaninium CHEBI:32505 An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino. Gmelin:323509 glycinium chebi_ontology 76.07458 C2H6NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-O H2gly(+) InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1 NH3(+)-CH2-COOH [NH3+]CC(O)=O carboxymethanaminium glycine cation CHEBI:32507 glycinium CHEBI:32507 An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group. Beilstein:1852023 Gmelin:81890 Reaxys:1852023 UM-BBD_compID:c0559 glycinate chebi_ontology 74.05870 C2H4NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-M H2N-CH2-COO(-) InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1 NCC([O-])=O aminoacetate gly(-) glycine anion CHEBI:32508 glycinate CHEBI:32508 An alpha-amino-acid anion that has formula C6H8N3O2. Beilstein:3959092 Gmelin:364417 histidinate(1-) hydrogen histidinate chebi_ontology 154.14660 2-amino-3-(1H-imidazol-4-yl)propanoate C6H8N3O2 HNDVDQJCIGZPNO-UHFFFAOYSA-M InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1 NC(Cc1c[nH]cn1)C([O-])=O histidine anion CHEBI:32529 histidinate(1-) CHEBI:32529 An alpha-amino-acid anion that has formula C6H7N3O2. histidinate histidinate(2-) chebi_ontology 153.13880 2-amino-3-imidazol-1-id-4-ylpropanoate C6H7N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,9,10,11)/p-2 NC(Cc1c[n-]cn1)C([O-])=O TWRZMXZXJKNOLO-UHFFFAOYSA-L histidine dianion CHEBI:32530 histidinate(2-) CHEBI:32530 An alpha-amino-acid cation that has formula C6H10N3O2. histidinium histidinium(1+) chebi_ontology 156.16262 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate C6H10N3O2 HNDVDQJCIGZPNO-UHFFFAOYSA-O InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1 [NH3+]C(Cc1c[nH]c[nH+]1)C([O-])=O histidine monocation CHEBI:32531 histidinium(1+) CHEBI:32531 An alpha-amino-acid cation that has formula C6H11N3O2. Gmelin:1151904 histidinediium histidinium(2+) chebi_ontology 157.17056 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium C6H11N3O2 HNDVDQJCIGZPNO-UHFFFAOYSA-P InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2 [NH3+]C(Cc1c[nH]c[nH+]1)C(O)=O histidine dication CHEBI:32532 histidinium(2+) CHEBI:32532 A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. CHEBI:14650 CHEBI:22851 CHEBI:25530 Beilstein:3539722 Gmelin:327384 MetaCyc:NIACINE PMID:17190852 PMID:21742010 PMID:21953179 Reaxys:3539722 nicotinate pyridine-3-carboxylate chebi_ontology 122.10150 3-pyridinecarboxylate C6H4NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1 PVNIIMVLHYAWGP-UHFFFAOYSA-M [O-]C(=O)c1cccnc1 CHEBI:32544 nicotinate CHEBI:32544 An alkaline earth metal atom that has formula Ba. WebElements:Ba barium chebi_ontology 137.32700 56Ba Ba Barium DSAJWYNOEDNPEQ-UHFFFAOYSA-N InChI=1S/Ba [Ba] bario barium baryum CHEBI:32594 barium atom CHEBI:32594 Gmelin:101585 isoleucinate chebi_ontology ile(-) isoleucine anion rel-(2R,3R)-2-amino-3-methylpentanoate CHEBI:32612 isoleucinate CHEBI:32612 Gmelin:1651827 isoleucinium chebi_ontology H2ile(+) isoleucine cation rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium CHEBI:32613 isoleucinium CHEBI:32613 An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group. Reaxys:5245805 leucinate chebi_ontology 130.16502 2-amino-4-methylpentanoate C6H12NO2 CC(C)CC(N)C([O-])=O InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1 ROHFNLRQFUQHCH-UHFFFAOYSA-M leu(-) leucine anion CHEBI:32627 leucinate CHEBI:32627 An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group. Gmelin:1651836 leucinium chebi_ontology 1-carboxy-3-methylbutan-1-aminium 132.18090 C6H14NO2 CC(C)CC([NH3+])C(O)=O H2leu(+) InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1 ROHFNLRQFUQHCH-UHFFFAOYSA-O leucine cation CHEBI:32628 leucinium CHEBI:32628 A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group. Beilstein:3937270 Gmelin:326565 Reaxys:3937270 methioninate chebi_ontology 148.20444 2-amino-4-(methylsulfanyl)butanoate C5H10NO2S CSCCC(N)C([O-])=O FFEARJCKVFRZRR-UHFFFAOYSA-M InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1 met(-) methionine anion CHEBI:32644 methioninate CHEBI:32644 A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group. Gmelin:326567 methioninium chebi_ontology 1-carboxy-3-(methylsulfanyl)propan-1-aminium 150.22032 C5H12NO2S CSCCC([NH3+])C(O)=O FFEARJCKVFRZRR-UHFFFAOYSA-O H2met(+) InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1 methionine cation CHEBI:32646 methioninium CHEBI:32646 An alpha-amino-acid anion that has formula C6H13N4O2. Gmelin:603497 argininate chebi_ontology 173.19318 2-amino-5-(carbamimidamido)pentanoate 2-amino-5-guanidinopentanoate C6H13N4O2 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1 NC(CCCNC(N)=N)C([O-])=O ODKSFYDXXFIFQN-UHFFFAOYSA-M arg(-) arginine anion CHEBI:32695 argininate CHEBI:32695 An alpha-amino-acid cation that has formula C6H15N4O2. Gmelin:1345599 argininium argininium(1+) chebi_ontology 175.20906 2-ammonio-5-guanidiniopentanoate C6H15N4O2 H2arg(+) InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1 NC(=[NH2+])NCCCC([NH3+])C([O-])=O ODKSFYDXXFIFQN-UHFFFAOYSA-O arginine arginine monocation CHEBI:32696 argininium(1+) CHEBI:32696 An alpha-amino-acid cation that has formula C6H16N4O2. argininediium argininium(2+) chebi_ontology (1-carboxy-4-guanidiniobutyl)ammonium 176.21700 C6H16N4O2 H3arg(2+) InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2 NC(=[NH2+])NCCCC([NH3+])C(O)=O ODKSFYDXXFIFQN-UHFFFAOYSA-P arginine dication CHEBI:32697 argininium(2+) CHEBI:32697 An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group. Beilstein:4376295 Gmelin:464365 Reaxys:4376295 L-threoninate chebi_ontology (2S,3R)-2-amino-3-hydroxybutanoate 118.11126 AYFVYJQAPQTCCC-GBXIJSLDSA-M C4H8NO3 C[C@@H](O)[C@H](N)C([O-])=O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m1/s1 L-threonine anion CHEBI:32820 L-threoninate CHEBI:32820 The L-enantiomer of threoninium. L-threoninium chebi_ontology (1S,2R)-1-carboxy-2-hydroxypropan-1-aminium 120.12714 AYFVYJQAPQTCCC-GBXIJSLDSA-O C4H10NO3 C[C@@H](O)[C@H]([NH3+])C(O)=O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1 L-threonine cation CHEBI:32822 L-threoninium CHEBI:32822 The D-enantiomer of threoninate. Gmelin:1006174 D-threoninate chebi_ontology (2R,3S)-2-amino-3-hydroxybutanoate 118.11126 AYFVYJQAPQTCCC-STHAYSLISA-M C4H8NO3 C[C@H](O)[C@@H](N)C([O-])=O D-threonine anion InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m0/s1 CHEBI:32827 D-threoninate CHEBI:32827 The D-enantiomer of threoninium. D-threoninium chebi_ontology (1R,2S)-1-carboxy-2-hydroxypropan-1-aminium 120.12714 AYFVYJQAPQTCCC-STHAYSLISA-O C4H10NO3 C[C@H](O)[C@@H]([NH3+])C(O)=O D-threonine cation InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m0/s1 CHEBI:32828 D-threoninium CHEBI:32828 threoninate chebi_ontology C4H8NO3 rel-(2R,3S)-2-amino-3-hydroxybutanoate threonine anion CHEBI:32832 threoninate CHEBI:32832 threoninium chebi_ontology C4H10NO3 rel-(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium threonine cation CHEBI:32833 threoninium CHEBI:32833 An alpha-amino-acid anion that is the conjugate base of serine. Gmelin:324692 serinate chebi_ontology 104.08468 2-amino-3-hydroxypropanoate C3H6NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1 MTCFGRXMJLQNBG-UHFFFAOYSA-M NC(CO)C([O-])=O serine anion CHEBI:32845 serinate CHEBI:32845 An alpha-amino-acid cation that is the conjugate acid of serine. Gmelin:1925675 serinium chebi_ontology 1-carboxy-2-hydroxyethanaminium 106.10056 C3H8NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1 MTCFGRXMJLQNBG-UHFFFAOYSA-O [NH3+]C(CO)C(O)=O serine cation CHEBI:32846 serinium CHEBI:32846 A branched-chain amino-acid anion that has formula C5H10NO2. Gmelin:49876 valinate chebi_ontology 116.13844 2-amino-3-methylbutanoate C5H10NO2 CC(C)C(N)C([O-])=O InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1 KZSNJWFQEVHDMF-UHFFFAOYSA-M val(-) valine anion CHEBI:32859 valinate CHEBI:32859 An alpha-amino-acid cation that has formula C5H12NO2. Gmelin:1651060 valinium chebi_ontology 1-carboxy-2-methylpropan-1-aminium 118.15432 C5H12NO2 CC(C)C([NH3+])C(O)=O H2val(+) InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1 KZSNJWFQEVHDMF-UHFFFAOYSA-O valine cation CHEBI:32860 valinium CHEBI:32860 An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group. Beilstein:5387795 Gmelin:50151 Reaxys:5387795 prolinate chebi_ontology 114.12256 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1 ONIBWKKTOPOVIA-UHFFFAOYSA-M [O-]C(=O)C1CCCN1 pro(-) proline anion pyrrolidine-2-carboxylate CHEBI:32871 prolinate CHEBI:32871 An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group. prolinium chebi_ontology 116.13840 2-carboxypyrrolidinium C5H10NO2 H2pro(+) InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1 OC(=O)C1CCC[NH2+]1 ONIBWKKTOPOVIA-UHFFFAOYSA-O proline cation CHEBI:32872 prolinium CHEBI:32872 An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc. CHEBI:22320 CHEBI:2581 KEGG:C01372 Alkene chebi_ontology C2H2R2 alkenes olefin CHEBI:32878 alkene CHEBI:32878 An alkane that has formula C3H8. Beilstein:1730718 CAS:74-98-6 Gmelin:25044 propane chebi_ontology 44.09562 ATUOYWHBWRKTHZ-UHFFFAOYSA-N C3H8 CCC CH3-CH2-CH3 E944 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 Propan CHEBI:32879 propane CHEBI:32879 A straight chain alkane composed of 9 carbon atoms. Beilstein:1696917 CAS:111-84-2 Gmelin:240576 HMDB:HMDB29595 KNApSAcK:C00034882 LIPID_MAPS_instance:LMFA11000579 PMID:23822267 Reaxys:1696917 nonane chebi_ontology 128.25510 BKIMMITUMNQMOS-UHFFFAOYSA-N C9H20 CCCCCCCCC CH3-[CH2]7-CH3 InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 Nonan n-nonane CHEBI:32892 nonane CHEBI:32892 A straight-chain alkane carrying 18 carbon atoms. Beilstein:1740138 CAS:593-45-3 Gmelin:263389 KNApSAcK:C00030879 PMID:9842728 Reaxys:1740138 octadecane chebi_ontology 254.49430 C18H38 CCCCCCCCCCCCCCCCCC CH3-[CH2]16-CH3 InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 Oktadekan RZJRJXONCZWCBN-UHFFFAOYSA-N n-octadecane CHEBI:32926 octadecane CHEBI:32926 A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca. Beilstein:1742892 CAS:629-92-5 PMID:22724515 PMID:23949856 PMID:24459478 Reaxys:1742892 nonadecane chebi_ontology 268.52090 C19H40 CCCCCCCCCCCCCCCCCCC CH3-[CH2]17-CH3 InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3 LQERIDTXQFOHKA-UHFFFAOYSA-N Nonadekan n-nonadecane CHEBI:32927 nonadecane CHEBI:32927 An alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius. Beilstein:1748500 CAS:629-94-7 MetaCyc:CPD-7935 PMID:19018567 PMID:22439883 PMID:23371463 PMID:24060842 PMID:24459472 Patent:US2008293992 Patent:US7615672 Reaxys:1748500 henicosane chebi_ontology 296.57410 C21H44 CCCCCCCCCCCCCCCCCCCCC CH3-[CH2]19-CH3 FNAZRRHPUDJQCJ-UHFFFAOYSA-N InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3 heneicosane n-heneicosane CHEBI:32931 henicosane CHEBI:32931 A straight-chain alkane containing 24 carbon atoms. Beilstein:1758462 CAS:646-31-1 KNApSAcK:C00032307 PMID:22906240 PMID:25050317 PMID:25154406 Reaxys:1758462 Wikipedia:Tetracosane tetracosane chebi_ontology 338.65380 C24H50 CCCCCCCCCCCCCCCCCCCCCCCC CH3-[CH2]22-CH3 InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3 POOSGDOYLQNASK-UHFFFAOYSA-N n-tetracosane CHEBI:32936 tetracosane CHEBI:32936 A straight-chain alkane containing 28 carbon atoms. Beilstein:1770570 CAS:630-02-4 KNApSAcK:C00034614 LIPID_MAPS_instance:LMFA11000580 MetaCyc:CPD-9765 PMID:17328933 PMID:22263592 Reaxys:1770570 octacosane chebi_ontology 394.76010 C28H58 CCCCCCCCCCCCCCCCCCCCCCCCCCCC CH3-[CH2]26-CH3 InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 ZYURHZPYMFLWSH-UHFFFAOYSA-N n-octacosane CHEBI:32943 octacosane CHEBI:32943 Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. CHEBI:13828 CHEBI:23930 CHEBI:4812 KEGG:C00722 PMID:10891060 Wikipedia:Epoxide Epoxide epoxides chebi_ontology 40.02080 Alkene oxide C2H2OR2 C2OR4 Olefin oxide [*]C1([*])OC1([*])[*] an epoxide epoxides CHEBI:32955 epoxide CHEBI:32955 An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. CHEBI:22473 CHEBI:2633 KEGG:C00241 Amide amides chebi_ontology CHEBI:32988 amide CHEBI:32988 A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any long-chain (C13 to C22) fatty acid. CHEBI:13649 CHEBI:14530 CHEBI:25073 CHEBI:6523 KEGG:C02843 PMID:10224157 PMID:14516204 PMID:16357361 PMID:17652214 PMID:19170545 PMID:19679826 chebi_ontology 794.53600 C22H35N7O17P3SR CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O LCFA-CoA LCFA-CoAs LCFA-coenzyme A LCFA-coenzyme As Long-chain acyl-CoA a long-chain acyl-CoA (OLD) long-chain fatty acyl-CoAs long-chain fatty acyl-coenzyme A long-chain fatty acyl-coenzyme As CHEBI:33184 long-chain fatty acyl-CoA CHEBI:33184 The E (trans) stereoisomer of cinnamyl alcohol. Beilstein:741973 CAS:104-54-1 CAS:4407-36-7 Gmelin:261108 HMDB:HMDB29698 KEGG:C02394 MetaCyc:CINNAMYL-ALC PMID:20431333 PMID:20940038 Reaxys:741973 Wikipedia:Cinnamyl_alcohol (2E)-3-phenylprop-2-en-1-ol (E)-cinnamyl alcohol chebi_ontology (E)-3-phenyl-2-propen-1-ol 134.17510 3-Phenyl-2-propen-1-ol C9H10O InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+ OC\C=C\c1ccccc1 OOCCDEMITAIZTP-QPJJXVBHSA-N Styrylcarbinol CHEBI:33227 (E)-cinnamyl alcohol CHEBI:33227 An organic substance that is distributed in foodstuffs, is distinct from the main organic components of food (protein, carbohydrate and fat) and is needed for the normal nutrition of the organism in question. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines. CHEBI:10004 CHEBI:27305 Vitamin chebi_ontology vitamina vitaminas vitamine vitamines vitamins vitaminum CHEBI:33229 vitamin CHEBI:33229 Intended use of the molecular entity or part thereof by humans. chebi_ontology CHEBI:33232 application CHEBI:33232 A particle not known to have substructure. elementary particle chebi_ontology elementary particles CHEBI:33233 fundamental particle CHEBI:33233 A monoatomic entity is a molecular entity consisting of a single atom. chebi_ontology atomic entity monoatomic entities CHEBI:33238 monoatomic entity CHEBI:33238 An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands). coordination entities coordination entity chebi_ontology coordination compounds CHEBI:33240 coordination entity CHEBI:33240 chebi_ontology oxoacid derivatives CHEBI:33241 oxoacid derivative CHEBI:33241 chebi_ontology inorganic hydrides CHEBI:33242 inorganic hydride CHEBI:33242 An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. chebi_ontology organic fundamental parents organic parent hydrides CHEBI:33245 organic fundamental parent CHEBI:33245 Any substituent group which does not contain carbon. chebi_ontology inorganic groups CHEBI:33246 inorganic group CHEBI:33246 Any substituent group or skeleton containing carbon. chebi_ontology organic groups CHEBI:33247 organic group CHEBI:33247 A univalent group formed by removing a hydrogen atom from a hydrocarbon. hydrocarbyl group hydrocarbyl groups chebi_ontology groupe hydrocarbyle grupo hidrocarbilo grupos hidrocarbilo CHEBI:33248 hydrocarbyl group CHEBI:33248 Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. organyl group organyl groups chebi_ontology groupe organyle grupo organilo grupos organilo CHEBI:33249 organyl group CHEBI:33249 A chemical entity constituting the smallest component of an element having the chemical properties of the element. CHEBI:22671 CHEBI:23907 atom chebi_ontology atome atomo atoms atomus element elements CHEBI:33250 atom CHEBI:33250 A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. nucleus chebi_ontology Atomkern Kern noyau noyau atomique nuclei nucleo nucleo atomico nucleus atomi CHEBI:33252 atomic nucleus CHEBI:33252 Heavy nuclear particle: proton or neutron. nucleon chebi_ontology Nukleon Nukleonen nucleons CHEBI:33253 nucleon CHEBI:33253 A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. primary amide primary amides chebi_ontology CHEBI:33256 primary amide CHEBI:33256 A molecular entity all atoms of which have the same atomic number. chebi_ontology homoatomic entity homoatomic molecular entities homoatomic molecular entity CHEBI:33259 elemental molecular entity CHEBI:33259 An organosulfur compound is a compound containing at least one carbon-sulfur bond. CHEBI:23010 CHEBI:25714 Wikipedia:Organosulfur_compounds organosulfur compound chebi_ontology organosulfur compounds CHEBI:33261 organosulfur compound CHEBI:33261 An anion consisting of more than one atom. chebi_ontology polyatomic anions CHEBI:33273 polyatomic anion CHEBI:33273 chebi_ontology chemical messenger CHEBI:33280 molecular messenger CHEBI:33280 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. CHEBI:22582 PMID:12964249 PMID:22117953 PMID:22439833 PMID:22849268 PMID:22849276 PMID:22958833 chebi_ontology Antibiotika Antibiotikum antibiotic antibiotics antibiotique antimicrobial antimicrobial agents antimicrobials microbicide microbicides CHEBI:33281 antimicrobial agent CHEBI:33281 A substance that kills or slows the growth of bacteria. chebi_ontology antibacterial agents antibacterials bactericide bactericides CHEBI:33282 antibacterial agent CHEBI:33282 A nutrient is a chemical element needed by all life forms. chebi_ontology nutrients CHEBI:33284 nutrient CHEBI:33284 A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. chebi_ontology heteroorganic entities organoelement compounds CHEBI:33285 heteroorganic entity CHEBI:33285 An agrochemical is a substance that is used in agriculture or horticulture. Wikipedia:Agrochemical chebi_ontology agrichemical agrichemicals agricultural chemicals agrochemicals CHEBI:33286 agrochemical CHEBI:33286 A fertilizer is any substance that is added to soil or water to assist the growth of plants. chebi_ontology fertiliser fertilizers CHEBI:33287 fertilizer CHEBI:33287 A substance used to destroy rodent pests. Wikipedia:Rodenticide chebi_ontology rodenticides CHEBI:33288 rodenticide CHEBI:33288 A substance used to destroy bird pests (class Aves). Wikipedia:Avicide chebi_ontology avicides CHEBI:33289 avicide CHEBI:33289 An energy-rich substance that can be transformed with release of usable energy. chebi_ontology CHEBI:33292 fuel CHEBI:33292 A molecular entity containing one or more atoms of an alkali metal. chebi_ontology alkali metal molecular entities CHEBI:33296 alkali metal molecular entity CHEBI:33296 An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal. alkaline earth molecular entity chebi_ontology alkaline earth compounds alkaline earth molecular entities alkaline-earth compounds CHEBI:33299 alkaline earth molecular entity CHEBI:33299 Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. pnictogens chebi_ontology group 15 elements group V elements nitrogenoideos nitrogenoides pnictogene pnictogenes CHEBI:33300 pnictogen CHEBI:33300 A p-block molecular entity containing any pnictogen. pnictogen molecular entity chebi_ontology pnictogen molecular entities CHEBI:33302 pnictogen molecular entity CHEBI:33302 Any p-block element belonging to the group 16 family of the periodic table. PMID:17084588 chalcogen chalcogens chebi_ontology Chalkogen Chalkogene anfigeno anfigenos calcogeno calcogenos chalcogene chalcogenes group 16 elements group VI elements CHEBI:33303 chalcogen CHEBI:33303 Any p-block molecular entity containing a chalcogen. chalcogen molecular entity chebi_ontology chalcogen compounds chalcogen molecular entities CHEBI:33304 chalcogen molecular entity CHEBI:33304 group 14 elements chebi_ontology carbon group element carbon group elements carbonoides cristallogene cristallogenes group IV elements CHEBI:33306 carbon group element atom CHEBI:33306 An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl. CHEBI:13204 CHEBI:23028 CHEBI:3408 KEGG:C02391 Wikipedia:Ester Carboxylic ester carboxylic esters chebi_ontology CO2R2 [*]C(=O)O[*] a carboxylic ester carboxylic acid esters CHEBI:33308 carboxylic ester CHEBI:33308 group 13 elements chebi_ontology Element der Borgruppe boron group element boron group elements group III elements CHEBI:33317 boron group element atom CHEBI:33317 An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. main group elements chebi_ontology Hauptgruppenelement Hauptgruppenelemente main group element CHEBI:33318 main group element atom CHEBI:33318 An alkaline earth metal atom that has formula Sr. CAS:7440-24-6 WebElements:Sr strontium chebi_ontology 38Sr 87.62000 CIOAGBVUUVVLOB-UHFFFAOYSA-N InChI=1S/Sr Sr [Sr] estroncio strontium CHEBI:33324 strontium atom CHEBI:33324 group 12 elements chebi_ontology zinc group element zinc group elements CHEBI:33340 zinc group element atom CHEBI:33340 group 6 elements chebi_ontology chromium group element chromium group elements CHEBI:33350 chromium group element atom CHEBI:33350 group 7 elements chebi_ontology manganese group element manganese group elements CHEBI:33352 manganese group element atom CHEBI:33352 group 8 elements chebi_ontology iron group element iron group elements CHEBI:33356 iron group element atom CHEBI:33356 group 11 elements chebi_ontology coinage metals copper group element copper group elements CHEBI:33366 copper group element atom CHEBI:33366 chebi_ontology pnictogen oxoacids CHEBI:33408 pnictogen oxoacid CHEBI:33408 elemental halogen chebi_ontology elemental halogens CHEBI:33434 elemental halogen CHEBI:33434 Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid. CHEBI:15132 CHEBI:25406 CHEBI:26086 CHEBI:9320 KEGG:C00934 PMID:18186488 phospho sugar chebi_ontology monosaccharide phosphates phospho sugars phosphorylated sugar phosphorylated sugars phosphosugar phosphosugars CHEBI:33447 phospho sugar CHEBI:33447 Arylmethyl groups and derivatives formed by substitution: ArCR2-. benzylic group benzylic groups chebi_ontology benzylic groups groupe benzylique CHEBI:33452 benzylic group CHEBI:33452 A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons. phosphorus oxoacid chebi_ontology Oxosaeure des Phosphors oxoacids of phosphorus phosphorus oxoacids CHEBI:33457 phosphorus oxoacid CHEBI:33457 pnictogen oxoanion chebi_ontology pnictogen oxoanions CHEBI:33459 pnictogen oxoanion CHEBI:33459 phosphorus oxoanion chebi_ontology oxoanions of phosphorus phosphorus oxoanions CHEBI:33461 phosphorus oxoanion CHEBI:33461 chebi_ontology CHEBI:33464 elemental phosphorus CHEBI:33464 elemental pnictogen chebi_ontology elemental pnictogens CHEBI:33465 elemental pnictogen CHEBI:33465 chebi_ontology P atomic phosphorus CHEBI:33466 monoatomic phosphorus CHEBI:33466 A monoatomic phosphorus that has formula P. CAS:16427-80-8 Gmelin:15200 phosphorus(1+) phosphorus(1+) ion phosphorus(I) cation chebi_ontology 30.97376 FTFMSLKBXSATDG-UHFFFAOYSA-N InChI=1S/P/q+1 P P(+) [P+] phosphorus cation CHEBI:33467 phosphorus(1+) CHEBI:33467 A molecular entity containing one or more atoms of a transition element. chebi_ontology transition element molecular entities transition metal molecular entity CHEBI:33497 transition element molecular entity CHEBI:33497 chebi_ontology alkali metal cations CHEBI:33504 alkali metal cation CHEBI:33504 chebi_ontology alkaline earth cations alkaline earth metal cation alkaline-earth metal cations CHEBI:33513 alkaline earth cation CHEBI:33513 chebi_ontology transition element cations transition metal cation CHEBI:33515 transition element cation CHEBI:33515 An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity. CHEBI:25217 CHEBI:6788 KEGG:C00050 PMID:21784043 Wikipedia:Metal chebi_ontology elemental metal elemental metals metal element metal elements metals CHEBI:33521 metal atom CHEBI:33521 An amino-acid anion obtained by deprotonation of any alpha-amino acid. alpha-amino-acid anion chebi_ontology alpha-amino acid anions alpha-amino-acid anions CHEBI:33558 alpha-amino-acid anion CHEBI:33558 chebi_ontology s-block element s-block elements CHEBI:33559 s-block element atom CHEBI:33559 Any main group element atom belonging to the p-block of the periodic table. chebi_ontology p-block element p-block elements CHEBI:33560 p-block element atom CHEBI:33560 chebi_ontology d-block element d-block elements CHEBI:33561 d-block element atom CHEBI:33561 Any member of class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide). Some substances classified as bacterial glycolipids have the sugar part acylated by one or more fatty acids and the glycerol part may be absent. CHEBI:24393 CHEBI:5476 KEGG:C05005 Wikipedia:Glycolipids Glycolipid glycolipids chebi_ontology CHEBI:33563 glycolipid CHEBI:33563 Any compound containing an o-diphenol component. CHEBI:13628 CHEBI:18862 KEGG:C15571 chebi_ontology CHEBI:33566 catechols CHEBI:33566 CHEBI:22705 CHEBI:22711 chebi_ontology CHEBI:33570 benzenediols CHEBI:33570 A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid. CHEBI:13428 CHEBI:13627 CHEBI:23027 PMID:17147560 PMID:18433345 Wikipedia:Carboxylic_acid carboxylic acid carboxylic acids chebi_ontology 45.01740 CHO2R Carbonsaeure Carbonsaeuren Karbonsaeure OC([*])=O RC(=O)OH acide carboxylique acides carboxyliques acido carboxilico acidos carboxilicos CHEBI:33575 carboxylic acid CHEBI:33575 Any carboxylic acid having a sulfur substituent. chebi_ontology S-containing carboxylic acid S-containing carboxylic acids sulfur-containing carboxylic acids CHEBI:33576 sulfur-containing carboxylic acid CHEBI:33576 A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. chebi_ontology main group compounds main group molecular entities CHEBI:33579 main group molecular entity CHEBI:33579 chebi_ontology boron group molecular entities CHEBI:33581 boron group molecular entity CHEBI:33581 carbon group molecular entity chebi_ontology carbon group molecular entities CHEBI:33582 carbon group molecular entity CHEBI:33582 Any molecule that consists of a series of atoms joined together to form a ring. Wikipedia:Cyclic_compound chebi_ontology cyclic compounds CHEBI:33595 cyclic compound CHEBI:33595 A cyclic compound having as ring members atoms of the same element only. homocyclic compound homocyclic compounds chebi_ontology isocyclic compounds CHEBI:33597 homocyclic compound CHEBI:33597 A homocyclic compound in which all of the ring members are carbon atoms. carbocyclic compound carbocyclic compounds chebi_ontology carbocycle CHEBI:33598 carbocyclic compound CHEBI:33598 A compound having one atom as the only common member of two rings. spiro compound spiro compounds chebi_ontology spiro-fused compounds spirocycle spirocycles spirocyclic compound spirocyclic compounds spirofused compounds CHEBI:33599 spiro compound CHEBI:33599 chebi_ontology hydrogen compounds hydrogen molecular entities CHEBI:33608 hydrogen molecular entity CHEBI:33608 CAS:7440-42-8 chebi_ontology boron trona elemental boron CHEBI:33609 elemental boron CHEBI:33609 chebi_ontology B CHEBI:33610 monoatomic boron CHEBI:33610 chebi_ontology polycyclic compounds CHEBI:33635 polycyclic compound CHEBI:33635 A molecule that features two fused rings. chebi_ontology bicyclic compounds CHEBI:33636 bicyclic compound CHEBI:33636 A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms. ortho-fused polycyclic compounds chebi_ontology ortho-fused compounds CHEBI:33637 ortho-fused compound CHEBI:33637 Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes. olefin olefins chebi_ontology olefins CHEBI:33641 olefin CHEBI:33641 The inclusive term for any cyclic hydrocarbon having any number of double bonds. cyclic olefin cyclic olefins chebi_ontology CHEBI:33642 cyclic olefin CHEBI:33642 An unsaturated monocyclic hydrocarbon having at least one endocyclic double bond. cycloalkene cycloalkenes chebi_ontology CHEBI:33643 cycloalkene CHEBI:33643 Acyclic branched or unbranched hydrocarbons having one or more carbon-carbon double bond. chebi_ontology acyclic olefins CHEBI:33645 acyclic olefin CHEBI:33645 Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds. aliphatic compounds chebi_ontology CHEBI:33653 aliphatic compound CHEBI:33653 An aliphatic compound having a carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system. alicyclic compounds chebi_ontology CHEBI:33654 alicyclic compound CHEBI:33654 A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character. aromatic compounds aromatic molecular entity chebi_ontology aromatics aromatische Verbindungen CHEBI:33655 aromatic compound CHEBI:33655 Any monocyclic or polycyclic aromatic hydrocarbon. arene arenes chebi_ontology aromatic hydrocarbons CHEBI:33658 arene CHEBI:33658 chebi_ontology organic aromatic compounds CHEBI:33659 organic aromatic compound CHEBI:33659 chebi_ontology monocyclic compounds CHEBI:33661 monocyclic compound CHEBI:33661 A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms. annulene annulenes chebi_ontology CHEBI:33662 annulene CHEBI:33662 cyclic hydrocarbon chebi_ontology cyclic hydrocarbons CHEBI:33663 cyclic hydrocarbon CHEBI:33663 monocyclic hydrocarbon monocyclic hydrocarbons chebi_ontology monocyclic hydrocarbons CHEBI:33664 monocyclic hydrocarbon CHEBI:33664 polycyclic hydrocarbon polycyclic hydrocarbons chebi_ontology CHEBI:33666 polycyclic hydrocarbon CHEBI:33666 heteromonocyclic compound heteromonocyclic compounds chebi_ontology CHEBI:33670 heteromonocyclic compound CHEBI:33670 heteropolycyclic compounds chebi_ontology polyheterocyclic compounds CHEBI:33671 heteropolycyclic compound CHEBI:33671 A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom. heterobicyclic compounds chebi_ontology CHEBI:33672 heterobicyclic compound CHEBI:33672 chebi_ontology zinc group molecular entities CHEBI:33673 zinc group molecular entity CHEBI:33673 An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element. s-block molecular entity chebi_ontology s-block compounds s-block molecular entities CHEBI:33674 s-block molecular entity CHEBI:33674 A main group molecular entity that contains one or more atoms of a p-block element. chebi_ontology p-block compounds p-block molecular entities p-block molecular entitiy CHEBI:33675 p-block molecular entity CHEBI:33675 A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element. d-block molecular entity chebi_ontology d-block compounds d-block molecular entities CHEBI:33676 d-block molecular entity CHEBI:33676 Hydrides are chemical compounds of hydrogen with other chemical elements. chebi_ontology CHEBI:33692 hydrides CHEBI:33692 A macromolecule formed by a living organism. biopolymer chebi_ontology Biopolymere biomacromolecules biopolymers CHEBI:33694 biomacromolecule CHEBI:33694 A cation consisting of more than one atom. chebi_ontology polyatomic cations CHEBI:33702 polyatomic cation CHEBI:33702 amino-acid cation chebi_ontology amino acid cation amino-acid cations CHEBI:33703 amino-acid cation CHEBI:33703 An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group. CHEBI:10208 CHEBI:13779 CHEBI:22442 CHEBI:2642 KEGG:C00045 KEGG:C05167 alpha-amino acid chebi_ontology 74.05870 Amino acid Amino acids C2H4NO2R NC([*])C(O)=O alpha-amino acids alpha-amino carboxylic acids CHEBI:33704 alpha-amino acid CHEBI:33704 A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group. gamma-amino acid chebi_ontology gamma-amino acids CHEBI:33707 gamma-amino acid CHEBI:33707 A carboxylic acid containing one or more amino groups. CHEBI:13815 CHEBI:22477 Wikipedia:Amino_acid chebi_ontology Aminocarbonsaeure Aminokarbonsaeure Aminosaeure amino acids CHEBI:33709 amino acid CHEBI:33709 alpha-amino-acid cation chebi_ontology alpha-amino acid cations alpha-amino-acid cations CHEBI:33719 alpha-amino-acid cation CHEBI:33719 carbohydrate acid chebi_ontology carbohydrate acids CHEBI:33720 carbohydrate acid CHEBI:33720 carbohydrate acid anion chebi_ontology carbohydrate acid anions CHEBI:33721 carbohydrate acid anion CHEBI:33721 tetritol chebi_ontology tetritols CHEBI:33729 tetritol CHEBI:33729 chromium group molecular entity chebi_ontology chromium group molecular entities CHEBI:33741 chromium group molecular entity CHEBI:33741 manganese group molecular entity chebi_ontology manganese group molecular entities CHEBI:33743 manganese group molecular entity CHEBI:33743 iron group molecular entity chebi_ontology iron group molecular entities CHEBI:33744 iron group molecular entity CHEBI:33744 copper group molecular entity chebi_ontology copper group molecular entities CHEBI:33745 copper group molecular entity CHEBI:33745 chebi_ontology tetrarate tetrarates tetraric acid anions CHEBI:33798 tetraric acid anion CHEBI:33798 An organic compound having at least one hydroxy group attached to a carbon atom. CHEBI:64710 hydroxy compounds chebi_ontology organic alcohol organic hydroxy compounds CHEBI:33822 organic hydroxy compound CHEBI:33822 Alkenols; the term refers specifically to vinylic alcohols, which have the structure HOCR'=CR2. Enols are tautomeric with aldehydes (R' = H) or ketones (R' =/= H). enol enols chebi_ontology 41.02870 C2HOR3 O\C([*])=C(/[*])[*] alkenols enols CHEBI:33823 enol CHEBI:33823 Any organic molecule that consists of atoms connected in the form of a ring. chebi_ontology organic cyclic compounds CHEBI:33832 organic cyclic compound CHEBI:33832 A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2). heteroarenes chebi_ontology hetarenes CHEBI:33833 heteroarene CHEBI:33833 chebi_ontology benzenoid aromatic compounds benzenoid compound CHEBI:33836 benzenoid aromatic compound CHEBI:33836 An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents. CHEBI:13661 CHEBI:25611 CHEBI:7647 KEGG:C00801 Nucleoside nucleosides chebi_ontology 116.115 C5H8O3R2 [C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO a nucleoside nucleosides CHEBI:33838 nucleoside CHEBI:33838 A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. Wikipedia:Macromolecule macromolecule chebi_ontology macromolecules polymer polymer molecule polymers CHEBI:33839 macromolecule CHEBI:33839 chebi_ontology aromatic annulenes CHEBI:33842 aromatic annulene CHEBI:33842 A monocyclic aromatic hydrocarbon. chebi_ontology monocyclic arenes CHEBI:33847 monocyclic arene CHEBI:33847 A polycyclic aromatic hydrocarbon. PMID:15198916 PMID:25679824 Wikipedia:Polycyclic_aromatic_hydrocarbon chebi_ontology PAH PAHs polycyclic arenes polycyclic aromatic hydrocarbons CHEBI:33848 polycyclic arene CHEBI:33848 Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. CHEBI:13664 CHEBI:13825 CHEBI:25969 CHEBI:2857 KEGG:C15584 MetaCyc:Aryl-Alcohol Wikipedia:Phenols phenols chebi_ontology Aryl alcohol arenols aryl alcohol CHEBI:33853 phenols CHEBI:33853 Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. CHEBI:13818 CHEBI:22620 CHEBI:22640 CHEBI:2831 chebi_ontology aromatic alcohols aryl alcohol aryl alcohols CHEBI:33854 aromatic alcohol CHEBI:33854 Any aldehyde in which the carbonyl group is attached to an aromatic moiety. CHEBI:13819 CHEBI:22621 CHEBI:2832 CHEBI:87908 KEGG:C00193 arenecarbaldehyde chebi_ontology *C(=O)[H] 29.018 Aromatic aldehyde CHOR an aromatic aldehyde an aryl aldehyde arenecarbaldehydes aryl aldehyde aryl aldehydes CHEBI:33855 arenecarbaldehyde CHEBI:33855 CHEBI:13820 CHEBI:22623 CHEBI:2835 KEGG:C01021 Aromatic amino acid aromatic amino acid chebi_ontology 88.085 Aromatic L-amino acid C2H4NO2R aromatic amino acids CHEBI:33856 aromatic amino acid CHEBI:33856 Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. CHEBI:13817 CHEBI:13821 CHEBI:2830 chebi_ontology aromatic carboxylic acids CHEBI:33859 aromatic carboxylic acid CHEBI:33859 A substance used in a chemical reaction to detect, measure, examine, or produce other substances. reagent chebi_ontology reactif reactivo reagents CHEBI:33893 reagent CHEBI:33893 chebi_ontology metal-tetrapyrrole metal-tetrapyrrole complex metallotetrapyrroles CHEBI:33909 metallotetrapyrrole CHEBI:33909 A pentose with a (potential) aldehyde group at one end. PMID:10723607 aldopentose chebi_ontology aldopentoses CHEBI:33916 aldopentose CHEBI:33916 A hexose with a (potential) aldehyde group at one end. CHEBI:2558 aldohexose chebi_ontology aldohexoses CHEBI:33917 aldohexose CHEBI:33917 chebi_ontology macronutrients CHEBI:33937 macronutrient CHEBI:33937 Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature. CHEBI:26564 ribo-pentose ribose chebi_ontology C5H10O5 Rib CHEBI:33942 ribose CHEBI:33942 silver molecular entity chebi_ontology silver compounds silver molecular entities CHEBI:33964 silver molecular entity CHEBI:33964 chebi_ontology CHEBI:33966 elemental silver CHEBI:33966 chebi_ontology CHEBI:33973 elemental magnesium CHEBI:33973 magnesium coordination entity chebi_ontology magnesium coordination compounds magnesium coordination entities CHEBI:33976 magnesium coordination entity CHEBI:33976 chebi_ontology deoxymannoses CHEBI:33983 deoxymannose CHEBI:33983 The (-)-enantiomer of catechin. CAS:18829-70-4 KEGG:C14079 KNApSAcK:C00008808 (-)-Catechin (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-benzopyran-3,5,7-triol 290.26810 C15H14O6 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 PFTAWBLQPZVEMU-HIFRSBDPSA-N catechin L-form CHEBI:33992 (-)-catechin CHEBI:33992 A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. CHEBI:535597 Beilstein:1914064 CAS:84-74-2 Gmelin:262569 HMDB:HMDB33244 KEGG:C14214 PMID:11133400 PMID:19840837 PMID:24213843 PMID:24468924 PMID:24616073 Reaxys:1914064 Wikipedia:Dibutyl_phthalate Dibutyl phthalate dibutyl benzene-1,2-dicarboxylate chebi_ontology 1,2-Benzenedicarboxylic acid dibutyl ester 278.34350 Benzene-o-dicarboxylic acid di-n-butyl ester Benzenedicarboxylic acid dibutyl ester Butyl phthalate C16H22O4 CCCCOC(=O)c1ccccc1C(=O)OCCCC DBP DOIRQSBPFJWKBE-UHFFFAOYSA-N Di-n-butyl phthalate Dibutyl 1,2-benzenedicarboxylate Dibutyl o-phthalate Dibutyl-o-phthalate InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 Phthalic acid di-n-butyl ester Phthalic acid dibutyl ester n-Butyl phthalate o-Benzenedicarboxylic acid dibutyl ester CHEBI:34687 dibutyl phthalate CHEBI:34687 The diethyl ester of benzene-1,2-dicarboxylic acid. Beilstein:1912500 CAS:84-66-2 Gmelin:261704 KEGG:C14175 KEGG:D03804 PMID:19840837 PMID:23880707 PMID:24418706 Reaxys:1912500 Wikipedia:Diethyl_phthalate Diethyl phthalate diethyl benzene-1,2-dicarboxylate chebi_ontology 1,2-Benzenedicarboxylic acid diethyl ester 1,2-Diethyl phthalate 222.23716 C12H14O4 CCOC(=O)c1ccccc1C(=O)OCC DEP Diethyl 1,2-benzenedicarboxylate Diethyl o-phthalate Ethyl phthalate FLKPEMZONWLCSK-UHFFFAOYSA-N InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 Phthalic acid diethyl ester Phthalsaeurediaethylester diethyl benzene-1,2-dicarboxylate o-Benzenedicarboxylic acid diethyl ester o-Bis(ethoxycarbonyl)benzene CHEBI:34698 diethyl phthalate CHEBI:34698 An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. CHEBI:42593 CAS:98-01-1 KEGG:C14279 KNApSAcK:C00030331 MetaCyc:CPD0-2357 PDBeChem:FU2 PMID:17439666 PMID:21925629 PMID:22081946 PMID:22133603 PMID:22213717 PMID:22277539 PMID:22315196 PMID:22504824 PMID:22512171 PMID:22592554 PMID:22639140 PMID:22648683 PMID:22703600 Reaxys:105755 Wikipedia:Furfural YMDB:YMDB01459 furan-2-carbaldehyde chebi_ontology 2-Formylfuran 2-Furaldehyde 2-Furanaldehyde 2-Furancarbonal 2-Furancarboxaldehyde 2-Furyl-methanal 2-Furylcarboxaldehyde 96.08410 C5H4O2 Furaldehyde HYBBIBNJHNGZAN-UHFFFAOYSA-N InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H O=Cc1ccco1 CHEBI:34768 furfural CHEBI:34768 A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5. Beilstein:906806 CAS:108-67-8 Gmelin:2956 HMDB:HMDB41924 KEGG:C14508 PMID:16549407 Reaxys:906806 Wikipedia:Mesitylene 1,3,5-Trimethylbenzene 1,3,5-trimethylbenzene chebi_ontology 120.19158 3,5-dimethyltoluene AUHZEENZYGFFBQ-UHFFFAOYSA-N C9H12 Cc1cc(C)cc(C)c1 InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 Mesitylene s-trimethylbenzene sym-trimethylbenzene CHEBI:34833 1,3,5-trimethylbenzene CHEBI:34833 An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene. Beilstein:1446407 CAS:119-64-2 Gmelin:3348 KEGG:C14114 PMID:23732916 PMID:24325207 Reaxys:1446407 Wikipedia:Tetralin 1,2,3,4-tetrahydronaphthalene Tetralin chebi_ontology 1,2,3,4-Tetrahydronaphthalene 132.20228 C10H12 C1CCc2ccccc2C1 CXWXQJXEFPUFDZ-UHFFFAOYSA-N InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 benzocyclohexane naphthalene 1,2,3,4-tetrahydride tetralene CHEBI:35008 tetralin CHEBI:35008 A strontium cation that has formula Sr. CHEBI:33514 CHEBI:34982 CHEBI:49891 CAS:22537-39-9 Gmelin:6868 KEGG:C13884 PDBeChem:SR strontium(2+) strontium(2+) ion strontium(II) cation chebi_ontology 87.62000 InChI=1S/Sr/q+2 PWYYWQHXAPXYMF-UHFFFAOYSA-N STRONTIUM ION Sr Sr(2+) Sr2+ Strontium [Sr++] CHEBI:35104 strontium(2+) CHEBI:35104 chebi_ontology nitrogen hydrides CHEBI:35106 nitrogen hydride CHEBI:35106 Saturated acyclic nitrogen hydrides having the general formula NnHn+2. chebi_ontology azanes CHEBI:35107 azane CHEBI:35107 chebi_ontology CHEBI:35115 elemental manganese CHEBI:35115 chebi_ontology aldose phosphates CHEBI:35131 aldose phosphate CHEBI:35131 An alpha-carotene that has formula C40H56. Beilstein:2067409 CAS:7488-99-5 LIPID_MAPS_instance:LMPR01070011 (6'R)-beta,epsilon-carotene chebi_ontology (+)-alpha-carotene 536.87264 ANVAOWXLWRTKGA-NTXLUARGSA-N C40H56 CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1 alpha-carotene (natural) CHEBI:35147 (6'R)-beta,epsilon-carotene CHEBI:35147 An alpha-carotene that has formula C40H56. Beilstein:2682045 (6'S)-beta,epsilon-carotene chebi_ontology 536.87264 ANVAOWXLWRTKGA-QTRZAOAUSA-N C40H56 CC(\C=C\C=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m1/s1 CHEBI:35148 (6'S)-beta,epsilon-carotene CHEBI:35148 chebi_ontology CHEBI:35155 elemental calcium CHEBI:35155 cyclic carotene chebi_ontology cyclic carotenes CHEBI:35163 cyclic carotene CHEBI:35163 An azamacrocycle that has formula C23H29N3O2. CAS:53938-08-2 KEGG:C10578 KNApSAcK:C00002322 Celabenzine chebi_ontology 379.496 C23H29N3O2 InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1 LSYKFBZWBDMZLQ-NRFANRHFSA-N O=C(N1CCCCN[C@@H](CC(=O)NCCC1)c1ccccc1)c1ccccc1 CHEBI:3518 Celabenzine CHEBI:3518 A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]. terpene terpenes chebi_ontology Terpen terpenes terpeno terpenos CHEBI:35186 terpene CHEBI:35186 A C10 terpene. monoterpenes chebi_ontology Monoterpen monoterpenes monoterpeno monoterpenos CHEBI:35187 monoterpene CHEBI:35187 A C15 terpene. sesquiterpenes chebi_ontology Sesquiterpen sesquiterpenes sesquiterpeno sesquiterpenos CHEBI:35189 sesquiterpene CHEBI:35189 A C20 terpene. diterpenes chebi_ontology Diterpen diterpenes diterpeno diterpenos CHEBI:35190 diterpene CHEBI:35190 A C30 terpene. triterpenes chebi_ontology Triterpen triterpenes triterpeno triterpenos CHEBI:35191 triterpene CHEBI:35191 A C40 terpene. tetraterpenes chebi_ontology tetraterpenes tetraterpeno tetraterpenos CHEBI:35193 tetraterpene CHEBI:35193 alkaline earth coordination entity chebi_ontology alkaline earth coordination compounds alkaline earth coordination entities CHEBI:35217 alkaline earth coordination entity CHEBI:35217 CHEBI:26154 CHEBI:26156 chebi_ontology plant growth inhibitor plant growth inhibitors plant growth retardants CHEBI:35219 plant growth retardant CHEBI:35219 A substance that diminishes the rate of a chemical reaction. inhibitor chebi_ontology inhibidor inhibiteur inhibitors CHEBI:35222 inhibitor CHEBI:35222 An amino acid zwitterion that has formula C3H7NO2S. Gmelin:49992 2-ammonio-3-sulfanylpropanoate cysteine zwitterion chebi_ontology (+)H3N-CH(CH2SH)-COO(-) 121.15922 2-ammonio-3-mercaptopropanoate C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N [NH3+]C(CS)C([O-])=O cysteine CHEBI:35237 cysteine zwitterion CHEBI:35237 The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group. amino acid zwitterion chebi_ontology CHEBI:35238 amino acid zwitterion CHEBI:35238 An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amnio group of serine. Beilstein:3935647 Gmelin:2060272 2-ammonio-3-hydroxypropanoate serine zwitterion chebi_ontology 105.09262 C3H7NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N [NH3+]C(CO)C([O-])=O CHEBI:35243 serine zwitterion CHEBI:35243 CHEBI:22721 chebi_ontology CHEBI:35259 benzofurans CHEBI:35259 A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. CHEBI:26470 CHEBI:8693 KEGG:C06703 quaternary ammonium ion chebi_ontology 14.00670 NR4 Quaternary amine [*][N+]([*])([*])[*] quaternary ammonium quaternary ammonium ions CHEBI:35267 quaternary ammonium ion CHEBI:35267 Ammonium, NH4(+), and derivatives formed by substitution by univalent groups. chebi_ontology ammonium ions azanium ions CHEBI:35274 ammonium ion CHEBI:35274 Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. betaines chebi_ontology onium betaines CHEBI:35281 onium betaine CHEBI:35281 Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. chebi_ontology ammonium betaines CHEBI:35284 ammonium betaine CHEBI:35284 A choline ester formed from choline and a carboxylic acid. CHEBI:13245 CHEBI:22227 CHEBI:2463 KEGG:C01777 chebi_ontology 131.17290 C6H13NO2R C[N+](C)(C)CCOC([*])=O acylcholines an acylcholine CHEBI:35287 acylcholine CHEBI:35287 A retinoate that is the conjugate base of all-trans-retinoic acid. CHEBI:26535 KEGG:C00777 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate all-trans-Retinoate all-trans-retinoate chebi_ontology 299.42718 C20H27O2 CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+ Retinoate SHGAZHPCJJPHSC-YCNIQYBTSA-M CHEBI:35291 all-trans-retinoate CHEBI:35291 chebi_ontology fused compounds fused polycyclic compounds fused-ring polycyclic compound fused-ring polycyclic compounds polycyclic fused-ring compounds CHEBI:35293 fused compound CHEBI:35293 A polyclic compound in which all of the ring members are carbon atoms. chebi_ontology carbopolycyclic compounds CHEBI:35294 carbopolycyclic compound CHEBI:35294 chebi_ontology homopolycyclic compounds CHEBI:35295 homopolycyclic compound CHEBI:35295 chebi_ontology ortho-fused polycyclic arenes CHEBI:35296 ortho-fused polycyclic arene CHEBI:35296 pentoside chebi_ontology pentosides CHEBI:35312 pentoside CHEBI:35312 hexoside chebi_ontology hexosides CHEBI:35313 hexoside CHEBI:35313 glycosiduronic acid chebi_ontology glycosiduronic acids CHEBI:35314 glycosiduronic acid CHEBI:35314 deoxy hexoside chebi_ontology deoxy hexosides CHEBI:35315 deoxy hexoside CHEBI:35315 Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene, so may be considered as triterpenoids. CHEBI:13687 CHEBI:26768 CHEBI:9263 KEGG:C00377 Steroid steroids chebi_ontology CHEBI:35341 steroid CHEBI:35341 CHEBI:1725 CHEBI:20248 KEGG:C02945 chebi_ontology 3beta-Hydroxysteroid 3beta-hydroxysteroids 3beta-sterols CHEBI:35348 3beta-sterol CHEBI:35348 CHEBI:24748 CHEBI:5814 KEGG:C02159 chebi_ontology Hydroxysteroid hydroxy steroids hydroxysteroids CHEBI:35350 hydroxy steroid CHEBI:35350 Any heteroorganic entity containing at least one carbon-nitrogen bond. organonitrogen compounds chebi_ontology organonitrogens CHEBI:35352 organonitrogen compound CHEBI:35352 Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. CHEBI:13633 CHEBI:24024 CHEBI:4984 KEGG:C00162 PMID:14287444 PMID:14300208 PMID:14328676 Wikipedia:Fatty_acid Fatty acid fatty acids chebi_ontology 45.01740 CHO2R Fettsaeure Fettsaeuren OC([*])=O acide gras acides gras acido graso acidos grasos fatty acids CHEBI:35366 fatty acid CHEBI:35366 An oligomer comprising five monomeric monosaccharide units. chebi_ontology pentasaccharides CHEBI:35369 pentasaccharide CHEBI:35369 CHEBI:10290 CHEBI:22421 KEGG:C01032 alpha-L-Arabinoside chebi_ontology C5H9O5R alpha-L-arabinosides CHEBI:35376 alpha-L-arabinoside CHEBI:35376 Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group. CHEBI:25407 CHEBI:6984 KEGG:C06698 Monosaccharide monosaccharide monosaccharides chebi_ontology Monosaccharid Monosacharid monosacarido monosacaridos CHEBI:35381 monosaccharide CHEBI:35381 An alpha-amino-acid anion that is the conjugate base of aspartic acid. CHEBI:22659 CHEBI:29992 aspartate(1-) hydrogen aspartate chebi_ontology 132.09478 2-ammoniobutanedioate 2-ammoniosuccinate C4H6NO4 CKLJMWTZIZZHCS-UHFFFAOYSA-M InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1 [NH3+]C(CC([O-])=O)C([O-])=O aspartic acid monoanion CHEBI:35391 aspartate(1-) CHEBI:35391 A 3-carboxy-2,3-dihydroxypropanoate that is the conjugate base of tartaric acid. rel-(2R,3R)-3-carboxy-2,3-dihydroxypropanoate chebi_ontology 149.07890 C4H5O6 CHEBI:35397 tartrate(1-) CHEBI:35397 An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen. CHEBI:33274 CHEBI:33436 oxoanion chebi_ontology oxoacid anions oxoanions CHEBI:35406 oxoanion CHEBI:35406 ortho-fused bicyclic arene chebi_ontology ortho-fused bicyclic arenes CHEBI:35426 ortho-fused bicyclic arene CHEBI:35426 ortho-fused polycyclic hydrocarbon chebi_ontology ortho-fused polycyclic hydrocarbons CHEBI:35427 ortho-fused polycyclic hydrocarbon CHEBI:35427 ortho-fused bicyclic hydrocarbon chebi_ontology ortho-fused bicyclic hydrocarbons CHEBI:35428 ortho-fused bicyclic hydrocarbon CHEBI:35428 CHEBI:21009 CHEBI:4173 KEGG:C01798 D-Glucoside chebi_ontology C6H11O6R D-glucosides CHEBI:35436 D-glucoside CHEBI:35436 A substance used in the prophylaxis or therapy of infectious diseases. chebi_ontology anti-infective agents anti-infective drugs antiinfective agents antiinfective drug CHEBI:35441 antiinfective agent CHEBI:35441 A substance used to treat or prevent parasitic infections. Wikipedia:Antiparasitic chebi_ontology antiparasitic drugs antiparasitics parasiticides CHEBI:35442 antiparasitic agent CHEBI:35442 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. chebi_ontology CNS agent CNS drugs central nervous system agents CHEBI:35470 central nervous system drug CHEBI:35470 A substance that reduces or suppresses inflammation. chebi_ontology anti-inflammatory drugs antiinflammatory agent antiinflammatory drug antiinflammatory drugs CHEBI:35472 anti-inflammatory drug CHEBI:35472 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. chebi_ontology CHEBI:35480 analgesic CHEBI:35480 A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. chebi_ontology CHEBI:35481 non-narcotic analgesic CHEBI:35481 chebi_ontology phthalate esters CHEBI:35484 phthalate ester CHEBI:35484 A loosely defined group of drugs that tend to reduce the activity of the central nervous system. chebi_ontology CNS depressants central nervous system depressants CHEBI:35488 central nervous system depressant CHEBI:35488 Compounds of structure RSSR in which R and R' are organic groups. disulfides chebi_ontology 64.13000 S2R2 [*]SS[*] organic disulfides CHEBI:35489 organic disulfide CHEBI:35489 An amino acid zwitterion that is the tautomer of cystine. Gmelin:51007 3,3'-disulfanediylbis(2-ammoniopropanoate) chebi_ontology 240.30256 3,3'-dithiobis(2-ammoniopropanoate) C6H12N2O4S2 InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12) LEVWYRKDKASIDU-UHFFFAOYSA-N [NH3+]C(CSSCC([NH3+])C([O-])=O)C([O-])=O CHEBI:35492 cystine zwitterion CHEBI:35492 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Wikipedia:Antipyretic chebi_ontology anti-pyretic CHEBI:35493 antipyretic CHEBI:35493 chebi_ontology alkaloid fundamental parents CHEBI:35506 alkaloid fundamental parent CHEBI:35506 natural product fundamental parents chebi_ontology CHEBI:35507 natural product fundamental parent CHEBI:35507 chebi_ontology steroid fundamental parents CHEBI:35508 steroid fundamental parent CHEBI:35508 A steroid fundamental parent that has formula C28H50. LIPID_MAPS_instance:LMST01030000 LIPID_MAPS_instance:LMST01040001 ergostane chebi_ontology 386.69660 C28H50 InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1 WAAWMJYYKITCGF-ADGVWNIHSA-N [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C CHEBI:35512 ergostane CHEBI:35512 A steroid fundamental parent that has formula C27H48. Beilstein:5334741 CAS:14982-53-7 LIPID_MAPS_instance:LMST01010000 Wikipedia:Cholestane cholestane chebi_ontology 372.67002 C27H48 InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1 XIIAYQZJNBULGD-LDHZKLTISA-N [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C CHEBI:35516 cholestane CHEBI:35516 A steroid fundamental parent that has formula C28H50. LIPID_MAPS_instance:LMST01030001 campestane chebi_ontology 386.69660 C28H50 InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21-,22?,23+,24-,25+,26+,27+,28-/m1/s1 WAAWMJYYKITCGF-SULSJXDKSA-N [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C CHEBI:35518 campestane CHEBI:35518 A drug which lowers the blood glucose level. chebi_ontology antidiabetic antihyperglycemic antihyperglycemic agent antihyperglycemic agents antihyperglycemic drug antihyperglycemic drugs antihyperglycemics hypoglycemic agents hypoglycemic drug hypoglycemic drugs CHEBI:35526 hypoglycemic agent CHEBI:35526 A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. chebi_ontology (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors (PG)H synthase inhibitor (PG)H synthase inhibitors COX inhibitor EC 1.14.99.1 (cyclooxygenase) inhibitor EC 1.14.99.1 (cyclooxygenase) inhibitors EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors EC 1.14.99.1 inhibitor EC 1.14.99.1 inhibitors PG synthetase inhibitor PG synthetase inhibitors cyclooxygenase (EC 1.14.99.1) inhibitor cyclooxygenase (EC 1.14.99.1) inhibitors cyclooxygenase inhibitor cyclooxygenase inhibitors fatty acid cyclooxygenase inhibitor fatty acid cyclooxygenase inhibitors prostaglandin G/H synthase inhibitor prostaglandin G/H synthase inhibitors prostaglandin endoperoxide synthetase inhibitor prostaglandin endoperoxide synthetase inhibitors prostaglandin synthase inhibitor prostaglandin synthase inhibitors prostaglandin synthetase inhibitor prostaglandin synthetase inhibitors CHEBI:35544 EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor CHEBI:35544 heterocyclic parent hydrides chebi_ontology heterocyclic fundamental parent heterocyclic organic fundamental parents organic heterocyclic fundamental parents CHEBI:35552 heterocyclic organic fundamental parent CHEBI:35552 A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. chebi_ontology cardiovascular agent cardiovascular drugs CHEBI:35554 cardiovascular drug CHEBI:35554 chebi_ontology mancude organic heteromonocyclic parents mancude-ring organic heteromonocyclic parents CHEBI:35555 mancude organic heteromonocyclic parent CHEBI:35555 A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid. CHEBI:30855 CHEBI:34767 Beilstein:103221 CAS:110-00-9 Gmelin:25716 HMDB:HMDB13785 KEGG:C14275 LINCS:LSM-37156 PMID:16006568 PMID:17224250 PMID:22079235 PMID:22542513 PMID:22641279 PMID:22865590 PMID:9169064 Reaxys:103221 Wikipedia:Furan Furan furan chebi_ontology 1,4-epoxy-1,3-butadiene 68.07400 C4H4O InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H YLQBMQCUIZJEEH-UHFFFAOYSA-N c1ccoc1 divinylene oxide furane oxacyclopentadiene oxole tetrole CHEBI:35559 furan CHEBI:35559 Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds. mancude-ring systems chebi_ontology mancude rings mancunide-ring systems CHEBI:35568 mancude ring CHEBI:35568 chebi_ontology mancude organic heterobicyclic parents mancude-ring organic heterobicyclic parents CHEBI:35570 mancude organic heterobicyclic parent CHEBI:35570 chebi_ontology mancude organic heterocyclic parents mancude-ring organic heterocyclic parents CHEBI:35571 mancude organic heterocyclic parent CHEBI:35571 chebi_ontology organic mancude parents organic mancude-ring parents CHEBI:35573 organic mancude parent CHEBI:35573 N-oxide chebi_ontology N-oxides CHEBI:35580 N-oxide CHEBI:35580 A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines. HMDB:HMDB01366 KEGG:C15587 MetaCyc:PURINE PMID:12865945 PMID:24088627 purine chebi_ontology C5H4N4 CHEBI:35584 purine CHEBI:35584 The 1H-tautomer of purine. Gmelin:2379911 1H-purine chebi_ontology 120.11210 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N c1nc2c[nH]cnc2n1 CHEBI:35586 1H-purine CHEBI:35586 The 3H-tautomer of purine. PMID:6149478 PMID:7178185 PMID:7296170 Reaxys:1210196 3H-purine chebi_ontology 120.11222 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N c1nc2cnc[nH]c2n1 CHEBI:35588 3H-purine CHEBI:35588 The 9H-tautomer of purine. Beilstein:606899 CAS:120-73-0 Gmelin:3120 Wikipedia:Purine 9H-purine chebi_ontology 120.11222 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N c1ncc2nc[nH]c2n1 CHEBI:35589 9H-purine CHEBI:35589 A pyran that has formula C5H6O. Beilstein:3535541 2H-pyran chebi_ontology 82.10054 C1OC=CC=C1 C5H6O InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2 MGADZUXDNSDTHW-UHFFFAOYSA-N CHEBI:35592 2H-pyran CHEBI:35592 A pyran that has formula C5H6O. Beilstein:1421312 CAS:289-65-6 4H-pyran chebi_ontology 82.10050 C1C=COC=C1 C5H6O InChI=1S/C5H6O/c1-2-4-6-5-3-1/h2-5H,1H2 MRUWJENAYHTDQG-UHFFFAOYSA-N CHEBI:35593 4H-pyran CHEBI:35593 pyran chebi_ontology C5H6O CHEBI:35594 pyran CHEBI:35594 A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n. carbon oxoanion chebi_ontology carbon oxoanions oxocarbon anion oxocarbon anions CHEBI:35604 carbon oxoanion CHEBI:35604 chebi_ontology carbon oxoacids oxoacids of carbon CHEBI:35605 carbon oxoacid CHEBI:35605 A substance that inhibits or prevents the proliferation of neoplasms. chebi_ontology anticancer agent anticancer agents antineoplastic antineoplastic agents cytostatic CHEBI:35610 antineoplastic agent CHEBI:35610 A food additive that is used to added improve the taste or odour of a food. chebi_ontology flavoring agent flavoring agents flavour enhancer flavour enhancers flavouring agents CHEBI:35617 flavouring agent CHEBI:35617 Any ether in which the oxygen is attached to at least one aryl substituent. chebi_ontology CHEBI:35618 aromatic ether CHEBI:35618 A drug used to cause dilation of the blood vessels. chebi_ontology vasodilator vasodilator agents CHEBI:35620 vasodilator agent CHEBI:35620 A drug used to prevent seizures or reduce their severity. chebi_ontology Antiepileptika Antiepileptikum Antikonvulsiva Antikonvulsivum anti-convulsant anti-convulsants anti-convulsive agent anti-convulsive agents anticonvulsants anticonvulsive agent anticonvulsive agents antiepileptic antiepileptics antiepileptique antiepileptiques CHEBI:35623 anticonvulsant CHEBI:35623 An isoquinoline alkaloid fundamental parent that has formula C16H21N. Beilstein:1375527 morphinan chebi_ontology 227.34468 C16H21N INAXVFBXDYWQFN-XHSDSOJGSA-N InChI=1S/C16H21N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15+,16-/m0/s1 [H][C@@]12CCCC[C@@]11CCN[C@@H]2Cc2ccccc12 CHEBI:35649 morphinan CHEBI:35649 chebi_ontology terpenoid fundamental parents CHEBI:35662 terpenoid fundamental parent CHEBI:35662 A diterpene that has formula C20H36. Beilstein:2500550 abietane chebi_ontology 276.49980 C20H36 InChI=1S/C20H36/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h14-18H,6-13H2,1-5H3/t15-,16-,17-,18-,20+/m0/s1 STIVVCHBLMGYSL-ZYNAIFEFSA-N [H][C@@]12CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@@H](C2)C(C)C CHEBI:35673 abietane CHEBI:35673 Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. chebi_ontology antihypertensive antihypertensive agents antihypertensive drug antihypertensive drugs CHEBI:35674 antihypertensive agent CHEBI:35674 A substance used to treat hyperlipidemia (an excess of lipids in the blood). Wikipedia:Hypolipidemic_agent chebi_ontology antihyperlipemic antihyperlipemics antihyperlipidemic antihyperlipidemic agent antihyperlipidemic agents antihyperlipidemic drug antihyperlipidemic drugs antihyperlipidemics antilipemic antilipemic drugs antilipemics hypolipidemic agent hypolipidemic agents CHEBI:35679 antilipemic drug CHEBI:35679 A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it. CHEBI:13425 CHEBI:13686 CHEBI:26617 CHEBI:58662 CHEBI:8741 CHEBI:9077 KEGG:C00432 KEGG:C01612 Secondary alcohol chebi_ontology 30.02600 58.07910 CH2OR2 OC([*])[*] R-CHOH-R' a secondary alcohol secondary alcohols CHEBI:35681 secondary alcohol CHEBI:35681 Any carboxylic acid containing two carboxy groups. CHEBI:23692 CHEBI:36172 CHEBI:4501 KEGG:C02028 Dicarboxylic acid chebi_ontology dicarboxylic acids CHEBI:35692 dicarboxylic acid CHEBI:35692 dicarboxylic acid anion chebi_ontology dicarboxylic acid anions CHEBI:35693 dicarboxylic acid anion CHEBI:35693 Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid. chebi_ontology dicarboxylic acid monoanions CHEBI:35695 dicarboxylic acid monoanion CHEBI:35695 A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter. CHEBI:23960 CHEBI:4859 KEGG:C00287 Wikipedia:Ester Ester chebi_ontology esters CHEBI:35701 ester CHEBI:35701 An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. chebi_ontology immunosuppressant immunosuppressive agents inmunosupresor CHEBI:35705 immunosuppressive agent CHEBI:35705 A monoterpene that has formula C10H18. Beilstein:2496757 CAS:471-12-5 LIPID_MAPS_instance:LMPR0102120029 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane thujane chebi_ontology 1-isopropyl-4-methylbicyclo[3.1.0]hexane 138.24992 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane C10H18 CC(C)C12CCC(C)C1C2 GCTNBVHDRFKLLK-UHFFFAOYSA-N InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3 dihydrosabinene CHEBI:35709 thujane CHEBI:35709 A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6. Beilstein:1847301 CAS:473-55-2 LIPID_MAPS_instance:LMPR0102120026 Reaxys:1847301 2,6,6-trimethylbicyclo[3.1.1]heptane pinane chebi_ontology 138.24992 C10H18 CC1CCC2CC1C2(C)C InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3 XOKSLPVRUOBDEW-UHFFFAOYSA-N dihydropinene CHEBI:35710 pinane CHEBI:35710 A triterpene that has formula C30H52. Beilstein:3207208 ursane chebi_ontology 412.73388 C30H52 InChI=1S/C30H52/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t20-,21+,22-,23+,24-,25+,27-,28+,29-,30-/m1/s1 OOTXFYSZXCPMPG-BMYLZFHVSA-N [H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C)[C@H](C)[C@@]21[H] CHEBI:35711 ursane CHEBI:35711 An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. chebi_ontology antifungal antifungal agents antifungal drug antifungal drugs antifungals CHEBI:35718 antifungal agent CHEBI:35718 chebi_ontology liposaccharides CHEBI:35740 liposaccharide CHEBI:35740 An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain. PMID:15210368 PMID:21341652 PMID:21347727 chebi_ontology 29.01800 CHOR [*]C=O a fatty aldehyde fatty aldehydes CHEBI:35746 fatty aldehyde CHEBI:35746 A carboxylic ester in which the carboxylic acid component can be any fatty acid. CHEBI:27315 CHEBI:35747 CHEBI:78205 chebi_ontology 44.00950 CO2R2 [*]OC([*])=O fatty acid esters CHEBI:35748 fatty acid ester CHEBI:35748 Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group. tricarboxylic acid anion chebi_ontology tricarboxylic acid anions CHEBI:35753 tricarboxylic acid anion CHEBI:35753 A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated. CHEBI:13657 CHEBI:25382 CHEBI:3407 KEGG:C00060 chebi_ontology 44.01000 CO2R Carboxylate Monocarboxylate [O-]C([*])=O a monocarboxylate monocarboxylates monocarboxylic acid anions CHEBI:35757 monocarboxylic acid anion CHEBI:35757 A phosphorus oxoanion that is the conjugate base of phosphoric acid. chebi_ontology Pi phosphate phosphate ions CHEBI:35780 phosphate ion CHEBI:35780 A monoterpene that has formula C10H18. Beilstein:1900804 CAS:464-15-3 DrugBank:DB04501 LIPID_MAPS_instance:LMPR0102120000 LIPID_MAPS_instance:LMPR0102120026 1,7,7-trimethylbicyclo[2.2.1]heptane bornane chebi_ontology 138.24992 BEWYHVAWEKZDPP-UHFFFAOYSA-N C10H18 CC1(C)C2CCC1(C)CC2 InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3 bornylane camphane CHEBI:35783 bornane CHEBI:35783 chebi_ontology seco-steroids CHEBI:35788 seco-steroid CHEBI:35788 CHEBI:24979 CHEBI:25804 chebi_ontology keto steroids ketosteroids oxo steroids oxosteroids CHEBI:35789 oxo steroid CHEBI:35789 A tricarboxylic acid monoanion that is the conjugate base of citric acid, obtained by deprotonation of one of the three carboxy groups. dihydrogen citrate chebi_ontology 191.11558 C6H7O7 H2cit H2cit(-) CHEBI:35804 citrate(1-) CHEBI:35804 A tricarboxylic acid dianion obtained by deprotonation of two of the three carboxy groups of citric acid. hydrogen citrate chebi_ontology 190.10764 C6H6O7 Hcit Hcit(2-) CHEBI:35808 citrate(2-) CHEBI:35808 Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids. CHEBI:22919 CHEBI:3166 KEGG:C05996 PMID:18318842 chebi_ontology BCFA BCFAs Branched chain fatty acid branched fatty acid branched fatty acids branched-chain fatty acids CHEBI:35819 branched-chain fatty acid CHEBI:35819 Any antimicrobial drug which is used to treat or prevent protozoal infections. Wikipedia:Antiprotozoal_agent chebi_ontology antiprotozoal agent antiprotozoal agents antiprotozoal drugs CHEBI:35820 antiprotozoal drug CHEBI:35820 A substance used to lower plasma cholesterol levels. CHEBI:64906 chebi_ontology anticholesteremic anticholesteremic agent anticholesteremic drugs antihypercholesterolemic antihypercholesterolemic agent antihypercholesterolemic agents antihypercholesterolemic drug antihypercholesterolemic drugs antihypercholesterolemics cholesterol inhibitor hypocholesteremic agent CHEBI:35821 anticholesteremic drug CHEBI:35821 A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. chebi_ontology lipooxygenase inhibitor lipoxygenase inhibitors CHEBI:35856 lipoxygenase inhibitor CHEBI:35856 chebi_ontology hydroxy acid hydroxy monocarboxylic acids CHEBI:35868 hydroxy monocarboxylic acid CHEBI:35868 chebi_ontology imidazopyrimidines CHEBI:35875 imidazopyrimidine CHEBI:35875 pnictogen hydride chebi_ontology pnictogen hydrides CHEBI:35881 pnictogen hydride CHEBI:35881 A dicarboxylic acid monoanion that is the conjugate base of glutaric acid. CHEBI:30922 CHEBI:35906 Beilstein:3904478 Gmelin:326031 Reaxys:3904478 4-carboxybutanoate chebi_ontology 131.10668 C5H7O4 InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-1 JFCQEDHGNNZCLN-UHFFFAOYSA-M OC(=O)CCCC([O-])=O hydrogen glutarate CHEBI:35907 glutarate(1-) CHEBI:35907 A terpene alkaloid fundamental parent that has formula C18H27N. aconitane chebi_ontology 257.41372 C18H27N InChI=1S/C18H27N/c1-2-11-9-19-17-14-8-15(11)18(17,5-1)16-7-10-3-4-12(14)13(16)6-10/h10-17,19H,1-9H2/t10-,11+,12+,13-,14-,15-,16-,17?,18+/m1/s1 YGJXLMNSTLJAMX-GCUFGPJWSA-N [H][C@]12CC[C@]3([H])[C@@]4([H])C[C@]5([H])[C@H]6CCC[C@@]5(C4NC6)[C@]([H])(C1)[C@]3([H])C2 CHEBI:35911 aconitane CHEBI:35911 CHEBI:13220 CHEBI:15115 CHEBI:26770 CHEBI:26772 CHEBI:9268 CHEBI:9269 KEGG:C01958 Sterol ester chebi_ontology Steryl ester steryl ester CHEBI:35915 sterol ester CHEBI:35915 A pyridine alkaloid fundamental parent that has formula C36H43NO17. Beilstein:4946284 CAS:33458-64-9 evonine chebi_ontology 761.72316 C36H43NO17 IMIAGCONYJPMDY-MCLCTUEFSA-N InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23-,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1 [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@]([H])(OC(C)=O)[C@]3([H])C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O CHEBI:35934 evonine CHEBI:35934 A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. chebi_ontology neurotransmitter agents CHEBI:35942 neurotransmitter agent CHEBI:35942 A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group. chebi_ontology 3-hydroxy acid 3-hydroxy monocarboxylic acids beta-hydroxy acid beta-hydroxy acids beta-hydroxy carboxylic acid beta-hydroxy carboxylic acids CHEBI:35969 3-hydroxy monocarboxylic acid CHEBI:35969 Any hydroxy monocarboxylic acid carrying at least two hydroxy groups. chebi_ontology dihydroxy monocarboxylic acids CHEBI:35972 dihydroxy monocarboxylic acid CHEBI:35972 A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of nine carbon atoms. It has been isolated as a component of volatile oils from plants like Hordeum vulgare. CHEBI:32893 CHEBI:34109 CHEBI:42305 AGR:IND44158795 Beilstein:969213 CAS:143-08-8 DrugBank:DB03143 Gmelin:406178 HMDB:HMDB31265 KEGG:C14696 KNApSAcK:C00030830 LIPID_MAPS_instance:LMFA05000092 PDBeChem:F09 PMID:23793896 PMID:5913174 Reaxys:969213 Wikipedia:1-Nonanol NONAN-1-OL nonan-1-ol chebi_ontology 1-Hydroxynonane 1-Nonanol 144.25450 C9H20O CCCCCCCCCO InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 Nonylalkohol Pelargonalkohol ZWRUINPWMLAQRD-UHFFFAOYSA-N n-Nonyl alcohol n-nonanol nonalol nonyl alcohol octyl carbinol pelargonic alcohol CHEBI:35986 nonan-1-ol CHEBI:35986 A polycyclic compound in which two rings have two or more atoms in common. chebi_ontology bridged compounds CHEBI:35990 bridged compound CHEBI:35990 A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. CHEBI:32901 CHEBI:35025 CHEBI:46104 Beilstein:1733089 CAS:629-50-5 Gmelin:1222217 HMDB:HMDB34284 KEGG:C13834 LIPID_MAPS_instance:LMFA11000001 PDBeChem:TRD PMID:23768323 PMID:24010324 Reaxys:1733089 Wikipedia:Tridecane TRIDECANE Tridecane tridecane chebi_ontology 184.36142 C13H28 CCCCCCCCCCCCC CH3-[CH2]11-CH3 IIYFAKIEWZDVMP-UHFFFAOYSA-N InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 Tridekan n-tridecane CHEBI:35998 tridecane CHEBI:35998 A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid. PMID:19035453 PMID:19136835 omega-6 fatty acid chebi_ontology omega-6 fatty acids CHEBI:36009 omega-6 fatty acid CHEBI:36009 An octadecenoic acid with a double bond at C-9. Beilstein:1726541 CAS:2027-47-6 PMID:20110887 PMID:22908585 PMID:23578483 PMID:24478215 Reaxys:1726541 octadec-9-enoic acid chebi_ontology 18:1, n-9 282.46136 9-octadecenoic acid C18:1, n-9 C18H34O2 Delta(9)-octadecenoic acid InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20) ZQPPMHVWECSIRJ-UHFFFAOYSA-N [H]C(CCCCCCCC)=C([H])CCCCCCCC(O)=O CHEBI:36021 octadec-9-enoic acid CHEBI:36021 A drug used to treat or prevent microbial infections. chebi_ontology antimicrobial drugs CHEBI:36043 antimicrobial drug CHEBI:36043 Esters of benzoic acid or substituted benzoic acids. benzoate ester chebi_ontology benzoate esters benzoic acid esters CHEBI:36054 benzoate ester CHEBI:36054 A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof. chebi_ontology furoic acids CHEBI:36055 furoic acid CHEBI:36055 chebi_ontology furancarboxylates CHEBI:36056 furancarboxylate CHEBI:36056 Any monocarboxylic acid anion carrying at least one hydroxy substituent. chebi_ontology hydroxy monocarboxylic acid anions hydroxymonocarboxylic acid anion hydroxymonocarboxylic acid anions CHEBI:36059 hydroxy monocarboxylic acid anion CHEBI:36059 A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. CHEBI:1380 CHEBI:16798 CHEBI:19879 CHEBI:20270 CHEBI:20272 CHEBI:41912 CAS:99-50-3 HMDB:HMDB01856 KEGG:C00230 KNApSAcK:C00002668 MetaCyc:3-4-DIHYDROXYBENZOATE PDBeChem:DHB PMID:17709440 PMID:19160570 PMID:20840540 PMID:20973550 PMID:21569764 PMID:21619045 PMID:22770225 Reaxys:1448841 Wikipedia:Protocatechuic_acid 3,4-Dihydroxybenzoic acid 3,4-dihydroxybenzoic acid chebi_ontology 154.120 4,5-Dihydroxybenzoic acid 4-Carboxy-1,2-dihydroxybenzene C(=O)(C1=CC(=C(C=C1)O)O)O C7H6O4 InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) Protocatechuic acid Protocatehuic acid YQUVCSBJEUQKSH-UHFFFAOYSA-N CHEBI:36062 3,4-dihydroxybenzoic acid CHEBI:36062 A hydroxybenzoate that is the conjugate base of dihydroxybenzoic acid. dihydroxybenzoate chebi_ontology dihydroxybenzoates CHEBI:36084 dihydroxybenzoate CHEBI:36084 chebi_ontology trihydroxybenzoates CHEBI:36085 trihydroxybenzoate CHEBI:36085 cinnamate ester chebi_ontology cinnamate esters CHEBI:36087 cinnamate ester CHEBI:36087 chebi_ontology CHEBI:36091 cinnamates CHEBI:36091 chebi_ontology piperidinecarboxylates CHEBI:36109 piperidinecarboxylate CHEBI:36109 A piperidinecarboxylate that is the conjugate base of pipecolic acid. CHEBI:26141 CHEBI:30914 piperidine-2-carboxylate chebi_ontology 128.14960 C6H10NO2 HXEACLLIILLPRG-UHFFFAOYSA-M InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/p-1 [O-]C(=O)C1CCCCN1 CHEBI:36110 pipecolate CHEBI:36110 chebi_ontology cyclitol carboxylic acids CHEBI:36123 cyclitol carboxylic acid CHEBI:36123 The (+)-enantiomer of quinic acid. Beilstein:2212410 Reaxys:2212410 (1R,3S,4R,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid chebi_ontology 192.16658 AAWZDTNXLSGCEK-DRMQKGJZSA-N C7H12O6 InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m0/s1 O[C@H]1C[C@@](O)(C[C@H](O)[C@H]1O)C(O)=O CHEBI:36124 (+)-quinic acid CHEBI:36124 chebi_ontology cyclitol carboxylic acid anions CHEBI:36125 cyclitol carboxylic acid anion CHEBI:36125 chebi_ontology cyclohexenecarboxylates CHEBI:36126 cyclohexenecarboxylate CHEBI:36126 An alicyclic ketone in which the carbocyclic ring structure forms part of a terpene skeleton. cyclic terpene ketone chebi_ontology CHEBI:36130 cyclic terpene ketone CHEBI:36130 A cyclic ketone in which the carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system. alicyclic ketone alicyclic ketones chebi_ontology CHEBI:36132 alicyclic ketone CHEBI:36132 Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). CHEBI:13684 CHEBI:26517 Wikipedia:Quinone quinone quinones chebi_ontology Chinon a quinone quinones CHEBI:36141 quinone CHEBI:36141 Any dicarboxylic acid carrying one or more oxo groups. chebi_ontology oxo dicarboxylic acids CHEBI:36145 oxo dicarboxylic acid CHEBI:36145 chebi_ontology oxo dicarboxylates oxo-dicarboxylic acid dianion oxo-dicarboxylic acid dianions CHEBI:36147 oxo dicarboxylate CHEBI:36147 A C4-dicarboxylate that has formula C4H2O4. CHEBI:22956 CHEBI:22957 Gmelin:874013 but-2-enedioate chebi_ontology 114.05628 C4H2O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2 VZCYOOQTPOCHFL-UHFFFAOYSA-L [H]C(=C([H])C([O-])=O)C([O-])=O CHEBI:36180 butenedioate CHEBI:36180 A cyclohexenecarboxylate that is the conjugate base of shikimic acid. CHEBI:15083 CHEBI:26663 (3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate shikimate chebi_ontology 173.14336 C7H9O5 InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/p-1/t4-,5-,6-/m1/s1 JXOHGGNKMLTUBP-HSUXUTPPSA-M O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C([O-])=O CHEBI:36208 shikimate CHEBI:36208 A compound in which two monosaccharides are joined by a glycosidic bond. CHEBI:23844 CHEBI:4654 KEGG:C01911 Disaccharide disaccharides chebi_ontology Disaccharid Disacharid disacarido disacaridos CHEBI:36233 disaccharide CHEBI:36233 A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions. CHEBI:11694 CHEBI:14955 CHEBI:19878 DrugBank:DB03946 KEGG:C00230 MetaCyc:3-4-DIHYDROXYBENZOATE Reaxys:4921766 UM-BBD_compID:c0120 3,4-Dihydroxybenzoate 3,4-dihydroxybenzoate chebi_ontology 153.112 4,5-dihydroxybenzoate C(=O)(C1=CC(=C(C=C1)O)O)[O-] C7H5O4 InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1 YQUVCSBJEUQKSH-UHFFFAOYSA-M CHEBI:36241 3,4-dihydroxybenzoate CHEBI:36241 A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common. Beilstein:2210883 HMDB:HMDB01964 KEGG:C01481 LINCS:LSM-5272 PMID:11373473 PMID:15778121 PMID:18061431 PMID:18314336 PMID:18482095 PMID:20542693 PMID:8340025 Reaxys:2210883 3-(3,4-dihydroxyphenyl)prop-2-enoic acid chebi_ontology 180.15740 C9H8O4 InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) OC(=O)C=Cc1ccc(O)c(O)c1 QAIPRVGONGVQAS-UHFFFAOYSA-N CHEBI:36281 caffeic acid CHEBI:36281 chebi_ontology tricarboxylic acid monoanions CHEBI:36299 tricarboxylic acid monoanion CHEBI:36299 chebi_ontology tricarboxylic acid dianions CHEBI:36300 tricarboxylic acid dianion CHEBI:36300 macrocyclic tetrapyrroles chebi_ontology cyclic tetrapyrroles macrocyclic tetrapyrrole CHEBI:36309 cyclic tetrapyrrole CHEBI:36309 A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. chebi_ontology antitrypanosomal agent antitrypanosomal agents antitrypanosomal drug antitrypanosomal drugs trypanocidal drugs trypanocide trypanosomicidal agents CHEBI:36335 trypanocidal drug CHEBI:36335 A quinoline alkaloid fundamental parent that has formula C21H24N2O. Beilstein:44534 strychnidine chebi_ontology 320.42814 AGRTUYYPROFOFX-ZMUQRAOQSA-N C21H24N2O InChI=1S/C21H24N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,6,14,17-20H,5,7-12H2/t14-,17-,18-,19-,20-,21+/m0/s1 [H][C@@]12CCN3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] CHEBI:36337 strychnidine CHEBI:36337 Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin). chebi_ontology leptons CHEBI:36338 lepton CHEBI:36338 Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy). chebi_ontology baryons CHEBI:36339 baryon CHEBI:36339 Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi. fermion chebi_ontology fermions CHEBI:36340 fermion CHEBI:36340 A particle smaller than an atom. chebi_ontology subatomic particles CHEBI:36342 subatomic particle CHEBI:36342 A subatomic particle known to have substructure (i.e. consisting of smaller particles). chebi_ontology composite particles CHEBI:36343 composite particle CHEBI:36343 Hadron is a subatomic particle which experiences the strong force. chebi_ontology hadrons CHEBI:36344 hadron CHEBI:36344 A nucleus or any of its constituents in any of their energy states. nuclear particle chebi_ontology CHEBI:36347 nuclear particle CHEBI:36347 Any molecular entity consisting of more than one atom. chebi_ontology polyatomic entities CHEBI:36357 polyatomic entity CHEBI:36357 An ion consisting of more than one atom. chebi_ontology polyatomic ions CHEBI:36358 polyatomic ion CHEBI:36358 phosphorus oxoacid derivative chebi_ontology CHEBI:36359 phosphorus oxoacid derivative CHEBI:36359 phosphorus oxoacids and derivatives chebi_ontology CHEBI:36360 phosphorus oxoacids and derivatives CHEBI:36360 chebi_ontology saturated heterocyclic parent hydride saturated heterocyclic parent hydrides saturated organic heterocyclic parents CHEBI:36388 saturated organic heterocyclic parent CHEBI:36388 chebi_ontology saturated heteromonocyclic parent hydride saturated heteromonocyclic parent hydrides saturated organic heteromonocyclic parents CHEBI:36389 saturated organic heteromonocyclic parent CHEBI:36389 A monocyclic hydrocarbon having any number of double bonds. chebi_ontology monocyclic olefins CHEBI:36403 monocyclic olefin CHEBI:36403 A terpenoid fundamental parent that has formula C15H30. Beilstein:2037504 LIPID_MAPS_instance:LMPR0103060000 bisabolane chebi_ontology 1-(1,5-dimethylhexyl)-4-methylcyclohexane 210.39870 C15H30 CC(C)CCCC(C)C1CCC(C)CC1 InChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3 NOWQRWPUNHMSAF-UHFFFAOYSA-N CHEBI:36480 bisabolane CHEBI:36480 A triterpene that has formula C30H52. Beilstein:3140799 oleanane chebi_ontology 412.73388 C30H52 InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1 VCNKUCWWHVTTBY-KQCVGMHHSA-N [H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CCC(C)(C)C[C@@]21[H] CHEBI:36481 oleanane CHEBI:36481 A triterpene that has formula C30H52. Beilstein:2562721 CAS:464-99-3 lupane chebi_ontology 412.73388 C30H52 InChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1 NKMDIWKRKQFYPH-VIUFNMEASA-N [H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)C)[C@]21[H] CHEBI:36485 lupane CHEBI:36485 A sesquiterpene consisting of decalin having two methyl substituents at the 1- and 6-positions, an isopropyl substituent at the 4-position and (1S,4S,4aS,6S,8aS)-configuration. Beilstein:1433 cadinane chebi_ontology (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene (1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene 208.38282 C15H28 FZZNNPQZDRVKLU-YTFOTSKYSA-N InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1 [H][C@@]12CC[C@H](C)C[C@@]1([H])[C@@H](CC[C@@H]2C)C(C)C CHEBI:36513 cadinane CHEBI:36513 A terpenoid fundamental parent that has formula C15H28. Beilstein:2498027 CAS:473-11-0 eudesmane chebi_ontology (1R,4aR,7R,8aS)-1,4a-dimethyl-7-(propan-2-yl)decahydronaphthalene (1R,4aR,7R,8aS)-7-isopropyl-1,4a-dimethyldecahydronaphthalene 208.38280 C15H28 DYEQPYSFRWUNNV-APIJFGDWSA-N InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3/t12-,13-,14+,15-/m1/s1 [H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@H]2C)C(C)C CHEBI:36522 eudesmane CHEBI:36522 A terpenoid fundamental parent that has formula C15H30. Beilstein:1902327 1,1,4,8-tetramethylcycloundecane humulane chebi_ontology 210.39870 C15H30 CC1CCCC(C)CCC(C)(C)CCC1 InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3 UTJJFHJHTZKQSW-UHFFFAOYSA-N CHEBI:36523 humulane CHEBI:36523 A diterpene that has formula C20H34. Beilstein:6791834 kaurane chebi_ontology 274.48396 C20H34 IVZWRQBQDVHDNG-XWIHJEQYSA-N InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m1/s1 [H][C@@]12CC[C@@]34C[C@@H](C)[C@@H](CC[C@]3([H])[C@@]1(C)CCCC2(C)C)C4 CHEBI:36539 kaurane CHEBI:36539 A diterpene that has formula C20H34. Beilstein:2043842 chebi_ontology 274.48396 C20H34 IVZWRQBQDVHDNG-KUIXFMFUSA-N InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m0/s1 [H][C@]12CC[C@]34C[C@H](C)[C@H](CC[C@@]3([H])[C@]1(C)CCCC2(C)C)C4 CHEBI:36540 ent-kaurane CHEBI:36540 A coordination entity in which the central atom to which the ligands are attached comes from groups 1, 2, 13, 14, 15, 16, 17, or 18 of the periodic table. chebi_ontology main group coordination compounds main-group coordination entities CHEBI:36562 main-group coordination entity CHEBI:36562 Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives. carbonyl compounds chebi_ontology CHEBI:36586 carbonyl compound CHEBI:36586 Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element. oxo compounds chebi_ontology organic oxo compounds CHEBI:36587 organic oxo compound CHEBI:36587 A monoterpene that is bicyclo[2.2.1]heptane substituted by methy groups at positions 1, 3 and 3. CAS:6248-88-0 LIPID_MAPS_instance:LMPR0102120027 PMID:20734952 fenchane chebi_ontology 1,3,3-trimethylbicyclo[2.2.1]heptane 138.24992 C10H18 CC1(C)CC2(C)CCC1C2 HINAOCRDJFBYGD-UHFFFAOYSA-N InChI=1S/C10H18/c1-9(2)7-10(3)5-4-8(9)6-10/h8H,4-7H2,1-3H3 CHEBI:36611 fenchane CHEBI:36611 Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). CHEBI:27151 CHEBI:9748 KEGG:C06085 Triterpenoid chebi_ontology triterpenoides triterpenoids CHEBI:36615 triterpenoid CHEBI:36615 heterotricyclic compound heterotricyclic compounds chebi_ontology heterotricyclic compounds CHEBI:36688 heterotricyclic compound CHEBI:36688 chebi_ontology fenchane monoterpenoids CHEBI:36739 fenchane monoterpenoid CHEBI:36739 A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. CHEBI:10326 CHEBI:22467 Beilstein:3194807 CAS:2437-95-8 CAS:80-56-8 KEGG:C09880 KNApSAcK:C00000805 LIPID_MAPS_instance:LMPR0102120017 MetaCyc:Alpha-pinene PMID:11868675 PMID:23513743 Reaxys:3194807 UM-BBD_compID:c0634 Wikipedia:Alpha-Pinene 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene alpha-Pinene pin-2-ene chebi_ontology (+-)-2-pinene (+-)-alpha-pinene 136.23404 2-pinene C10H16 CC1=CCC2CC1C2(C)C GRWFGVWFFZKLTI-UHFFFAOYSA-N InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 acintene A pin-2(3)-ene CHEBI:36740 alpha-pinene CHEBI:36740 A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. Beilstein:1719672 CAS:3891-98-3 LIPID_MAPS_instance:LMPR0103010000 MetaCyc:CPD-8764 Patent:US2008098645 Patent:US7399323 Reaxys:1719672 2,6,10-trimethyldodecane farnesane chebi_ontology 212.41458 C15H32 CCC(C)CCCC(C)CCCC(C)C Farnesan InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3 YFHFHLSMISYUAQ-UHFFFAOYSA-N CHEBI:36756 farnesane CHEBI:36756 farnesane sesquiterpenoid chebi_ontology farnesane sesquiterpenoids CHEBI:36757 farnesane sesquiterpenoid CHEBI:36757 A diterpenoid based on an abietane skeleton. chebi_ontology abietane diterpenoids CHEBI:36762 abietane diterpenoid CHEBI:36762 A cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid. Beilstein:1907611 Beilstein:3196099 Beilstein:6475830 CAS:464-48-2 CAS:76-22-2 DrugBank:DB01744 Gmelin:83275 KEGG:C00809 KEGG:C18369 KEGG:D00098 KNApSAcK:C00000135 LIPID_MAPS_instance:LMPR0102120001 MetaCyc:Camphor PMID:17488023 PMID:19384733 PMID:20950270 PMID:21562741 PMID:21620923 PMID:21777420 PMID:21906366 Reaxys:3196099 Wikipedia:Camphor 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one Camphor bornan-2-one camphor chebi_ontology 152.23340 2-bornanone 2-camphanone 2-keto-1,7,7-trimethylnorcamphane C10H16O CC1(C)C2CCC1(C)C(=O)C2 DSSYKIVIOFKYAU-UHFFFAOYSA-N Formosa camphor InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 Japan camphor Kampfer gum camphor laurel camphor root bark oil spirit of camphor CHEBI:36773 camphor CHEBI:36773 A bicyclic compound in which all the ring atoms are carbon. chebi_ontology carbobicyclic compounds CHEBI:36785 carbobicyclic compound CHEBI:36785 Compounds containing a tetralin skeleton. chebi_ontology 1,2,3,4-tetrahydronaphthalenes CHEBI:36786 tetralins CHEBI:36786 Any hydroxy steroid carrying a hydroxy group at position 3. chebi_ontology 3-hydroxy steroids CHEBI:36834 3-hydroxy steroid CHEBI:36834 A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position. CHEBI:71195 PMID:10535978 PMID:12829805 chebi_ontology 3beta-hydroxy steroids a 3beta-hydroxysteroid CHEBI:36836 3beta-hydroxy steroid CHEBI:36836 chebi_ontology 6-hydroxy steroids CHEBI:36849 6-hydroxy steroid CHEBI:36849 chebi_ontology 6alpha-hydroxy steroids CHEBI:36850 6alpha-hydroxy steroid CHEBI:36850 chebi_ontology hydroxy seco-steroids CHEBI:36853 hydroxy seco-steroid CHEBI:36853 chebi_ontology CHEBI:36892 elemental fluorine CHEBI:36892 chebi_ontology F atomic fluorine CHEBI:36895 monoatomic fluorine CHEBI:36895 CAS:7782-49-2 elemental selenium chebi_ontology CHEBI:36904 elemental selenium CHEBI:36904 chebi_ontology inorganic ions CHEBI:36914 inorganic ion CHEBI:36914 chebi_ontology inorganic cations CHEBI:36915 inorganic cation CHEBI:36915 A monoatomic or polyatomic species having one or more elementary charges of the proton. CHEBI:23058 CHEBI:3473 KEGG:C01373 Cation cation chebi_ontology Kation Kationen cationes cations CHEBI:36916 cation CHEBI:36916 chalcocarbonic acid chalcocarbonic acids chebi_ontology chalcocarbonic acids CHEBI:36961 chalcocarbonic acid CHEBI:36961 An organochalcogen compound is a compound containing at least one carbon-chalcogen bond. organochalcogen compound chebi_ontology organochalcogen compounds CHEBI:36962 organochalcogen compound CHEBI:36962 An organochalcogen compound containing at least one carbon-oxygen bond. PMID:17586126 organooxygen compound chebi_ontology organooxygen compounds CHEBI:36963 organooxygen compound CHEBI:36963 A nucleotide is a nucleoside phosphate. It is a phosphate ester that has a nucleoside moiety and has at least one phosphate moiety attached to the C-5 carbon of the ribose or deoxyribose moiety. CHEBI:13215 CHEBI:13663 CHEBI:7656 KEGG:C00215 Nucleotide chebi_ontology a nucleotide nucleotides CHEBI:36976 nucleotide CHEBI:36976 CHEBI:1976 CHEBI:1977 CHEBI:20500 CHEBI:36996 chebi_ontology ribonucleoside 5'-monophosphates CHEBI:37010 ribonucleoside 5'-monophosphate CHEBI:37010 chebi_ontology ribonucleoside 5'-phosphates CHEBI:37015 ribonucleoside 5'-phosphate CHEBI:37015 chebi_ontology purine ribonucleoside 5'-monophosphates CHEBI:37021 purine ribonucleoside 5'-monophosphate CHEBI:37021 amino-acid anion chebi_ontology amino acid anions amino-acid anions CHEBI:37022 amino-acid anion CHEBI:37022 chebi_ontology purine ribonucleoside 5'-diphosphates CHEBI:37038 purine ribonucleoside 5'-diphosphate CHEBI:37038 A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Beilstein:4127635 Reaxys:4127635 3-hydroxybutanoate chebi_ontology 103.09658 3-OH butyrate 3-OH-butyrate C4H7O3 CC(O)CC([O-])=O DL-3-hydroxybutyrate InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1 WHBMMWSBFZVSSR-UHFFFAOYSA-M beta-hydroxy-n-butyrate beta-hydroxybutanoate CHEBI:37054 3-hydroxybutyrate CHEBI:37054 chebi_ontology ribonucleoside 5'-diphosphates CHEBI:37075 ribonucleoside 5'-diphosphate CHEBI:37075 chebi_ontology adenosine 5'-phosphates CHEBI:37096 adenosine 5'-phosphate CHEBI:37096 chebi_ontology nucleoside bisphosphates CHEBI:37123 nucleoside bisphosphate CHEBI:37123 strontium molecular entity chebi_ontology strontium compounds strontium molecular entities CHEBI:37131 strontium molecular entity CHEBI:37131 barium molecular entity chebi_ontology barium compounds barium molecular entities CHEBI:37133 barium molecular entity CHEBI:37133 chebi_ontology CHEBI:37134 elemental barium CHEBI:37134 A barium cation that has formula 137.32700. CHEBI:32593 CHEBI:34552 CHEBI:49494 CAS:22541-12-4 Gmelin:6848 KEGG:C13881 PDBeChem:BA barium(2+) barium(2+) ion barium(II) cation chebi_ontology 137.32700 BARIUM ION Ba Ba(2+) Ba2+ Barium InChI=1S/Ba/q+2 XDFCIPNJCBUZJN-UHFFFAOYSA-N [Ba++] CHEBI:37136 barium(2+) CHEBI:37136 A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid. Beilstein:1906438 Gmelin:325290 Reaxys:1906438 (2E)-3-carboxyprop-2-enoate chebi_ontology (2E)-3-carboxyacrylate 115.06422 C4H3O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1+ OC(=O)\C=C\C([O-])=O VZCYOOQTPOCHFL-OWOJBTEDSA-M fumarate monoanion hydrogen fumarate CHEBI:37154 fumarate(1-) CHEBI:37154 A dicarboxylic acid monoanion that has formula C4H3O4. Beilstein:5244783 Gmelin:1342303 3-carboxyprop-2-enoate chebi_ontology 115.06422 3-carboxyacrylate C4H3O4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1 VZCYOOQTPOCHFL-UHFFFAOYSA-M [H]C(=C([H])C([O-])=O)C(O)=O CHEBI:37155 hydrogen butenedioate CHEBI:37155 chebi_ontology organic hydrides CHEBI:37175 organic hydride CHEBI:37175 mononuclear parent hydrides chebi_ontology mononuclear hydride mononuclear hydrides CHEBI:37176 mononuclear parent hydride CHEBI:37176 A polyol that contains 6 hydroxy groups. hexol chebi_ontology hexols CHEBI:37206 hexol CHEBI:37206 chebi_ontology CHEBI:37237 elemental molybdenum CHEBI:37237 molybdenum cation chebi_ontology Mo Mo cation molybdenum cations CHEBI:37239 molybdenum cation CHEBI:37239 chebi_ontology adenosine 3',5'-bisphosphates CHEBI:37240 adenosine 3',5'-bisphosphate CHEBI:37240 chebi_ontology CHEBI:37247 elemental potassium CHEBI:37247 chebi_ontology CHEBI:37253 elemental zinc CHEBI:37253 chebi_ontology CHEBI:37404 elemental copper CHEBI:37404 Any ether in which the oxygen atom forms part of a ring. CHEBI:37406 cyclic ether cyclic ethers epoxy compounds chebi_ontology cyclic ethers epoxy compounds CHEBI:37407 cyclic ether CHEBI:37407 An anthraquinone substituted with one or more hydroxy groups. CHEBI:13829 CHEBI:24672 chebi_ontology an hydroxyanthraquinone CHEBI:37485 hydroxyanthraquinones CHEBI:37485 A member of the class of hydroxyanthraquinones carrying three hydroxy substituents. Wikipedia:Trihydroxyanthraquinone chebi_ontology C14H8O5 trihydroxy-9,10-anthraquinones CHEBI:37488 trihydroxyanthraquinone CHEBI:37488 An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid). CHEBI:13800 CHEBI:13801 CHEBI:22209 CHEBI:2426 KEGG:C00174 Acid acid chebi_ontology Saeure Saeuren acide acido acids an acid CHEBI:37527 acid CHEBI:37527 An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any fatty acid. CHEBI:24025 CHEBI:4987 PMID:11524729 PMID:20442897 PMID:2079609 chebi_ontology 794.53600 C22H35N7O17P3SR CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O Fatty acyl CoA fatty acyl-coenzyme A fatty acyl-coenzyme As CHEBI:37554 fatty acyl-CoA CHEBI:37554 CHEBI:10287 CHEBI:22418 KEGG:C03645 alpha-L-Arabinofuranoside chebi_ontology alpha-L-arabinofuranosides CHEBI:37572 alpha-L-arabinofuranoside CHEBI:37572 A molecular entity consisting of two or more chemical elements. chebi_ontology chemical compound heteroatomic molecular entities CHEBI:37577 heteroatomic molecular entity CHEBI:37577 A lactone having a five-membered lactone ring. CHEBI:13194 CHEBI:18937 CHEBI:22971 CHEBI:541 PMID:18789684 chebi_ontology 1,4-Lactone 1,4-lactones a 1,4-lactone butyrolactones gamma-Laktone gamma-lactona gamma-lactonas gamma-lactones CHEBI:37581 gamma-lactone CHEBI:37581 An octadec-9-ene that has formula C18H36. Beilstein:1721559 CAS:1779-13-1 (9Z)-octadec-9-ene chebi_ontology (Z)-9-octadecene 252.47844 C18H36 CCCCCCCC\C=C/CCCCCCCC HSNQNPCNYIJJHT-ZCXUNETKSA-N InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17- cis-9-octadecene CHEBI:37604 cis-octadec-9-ene CHEBI:37604 An octadecene that has formula C18H36. Beilstein:8330440 octadec-9-ene chebi_ontology 252.47844 C18H36 HSNQNPCNYIJJHT-UHFFFAOYSA-N InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 [H]C(CCCCCCCC)=C([H])CCCCCCCC CHEBI:37605 octadec-9-ene CHEBI:37605 An alkene that is octadecane containing one double bond at unspecified position. octadecene chebi_ontology C18H36 CHEBI:37606 octadecene CHEBI:37606 L-galacto-hexose L-galactose chebi_ontology C6H12O6 L-Gal CHEBI:37618 L-galactose CHEBI:37618 The L-enantiomer of galactopyranose. Beilstein:1423216 Gmelin:1420663 Reaxys:1423216 L-galactopyranose chebi_ontology 180.15588 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m0/s1 L-galactose OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O WQZGKKKJIJFFOK-DHVFOXMCSA-N CHEBI:37619 L-galactopyranose CHEBI:37619 A L-galactopyranose with a beta-configuration at the anomeric position. Beilstein:1907370 Reaxys:1907370 beta-L-galactopyranose chebi_ontology 180.15588 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m0/s1 OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O WQZGKKKJIJFFOK-KGJVWPDLSA-N CHEBI:37620 beta-L-galactose CHEBI:37620 The pyranose form of galactose. galactopyranose chebi_ontology C6H12O6 CHEBI:37621 galactopyranose CHEBI:37621 An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom. CHEBI:35354 CHEBI:35355 carboxamides chebi_ontology 42.01680 CNOR3 [*]C(=O)N([*])[*] carboxamides primary carboxamide CHEBI:37622 carboxamide CHEBI:37622 Beilstein:1724626 CAS:921-60-8 L-gluco-hexose L-glucose chebi_ontology C6H12O6 L(-)-glucose CHEBI:37624 L-glucose CHEBI:37624 The L-enantiomer of glucopyranose. Beilstein:2206321 Reaxys:2206321 L-glucopyranose chebi_ontology 180.15588 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1 OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O WQZGKKKJIJFFOK-ZZWDRFIYSA-N CHEBI:37627 L-glucopyranose CHEBI:37627 A L-glucopyranose with a beta-configuration at the anomeric position. Beilstein:1907373 Reaxys:1907373 beta-L-glucopyranose chebi_ontology 180.15588 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1 OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O WQZGKKKJIJFFOK-QYESYBIKSA-N CHEBI:37631 beta-L-glucose CHEBI:37631 A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. CAS:508-02-1 KEGG:C17148 PMID:15541359 PMID:24393202 Wikipedia:Oleanolic_acid 3beta-hydroxyolean-12-en-28-oic acid chebi_ontology 3beta-Hydroxyolean-12-en-28-oic acid 456.70030 Astrantiagenin C C30H48O3 Caryophyllin Giganteumgenin C InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 MIJYXULNPSFWEK-GTOFXWBISA-N Oleanic acid Virgaureagenin B [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O CHEBI:37659 oleanolic acid CHEBI:37659 glucopyranose chebi_ontology C6H12O6 CHEBI:37661 glucopyranose CHEBI:37661 Any member of a diverse class of complex, multicyclic phytochemicals showing a variety of skeleton arrangements and bioactivities, and having in common a sesquiterpenoid structure including a lactone ring. chebi_ontology sesquiterpene lactones CHEBI:37667 sesquiterpene lactone CHEBI:37667 chebi_ontology terpene lactones CHEBI:37668 terpene lactone CHEBI:37668 An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases. chebi_ontology protein kinase inhibitors CHEBI:37699 protein kinase inhibitor CHEBI:37699 chebi_ontology phosphatidyl oligosaccharides CHEBI:37711 phosphatidyl oligosaccharide CHEBI:37711 CHEBI:26019 chebi_ontology phosphate esters phosphoric esters CHEBI:37734 phosphoric ester CHEBI:37734 chebi_ontology CHEBI:37763 elemental silicon CHEBI:37763 A straight chain alkane composed of 4 carbon atoms. CHEBI:22945 CHEBI:25462 CHEBI:44430 Beilstein:969129 CAS:106-97-8 Gmelin:1148 PDBeChem:NBU PMID:24179026 Reaxys:969129 Wikipedia:Butane butane chebi_ontology 58.12220 C4H10 CCCC E 943a E-943a E943a IJDNQMDRQITEOD-UHFFFAOYSA-N InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 N-BUTANE R-600 n-Butan n-C4H10 n-butane CHEBI:37808 butane CHEBI:37808 A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid. carboacyl groups carboxylic acyl group chebi_ontology carboxylic acyl groups CHEBI:37838 carboacyl group CHEBI:37838 A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. CHEBI:26158 Wikipedia:Phytohormone chebi_ontology phytohormone phytohormones plant growth factor plant growth factors plant growth hormone plant growth hormones plant hormones CHEBI:37848 plant hormone CHEBI:37848 Any coumarin carrying at least one hydroxy substituent. CHEBI:24691 CHEBI:24692 chebi_ontology hydroxycoumarins CHEBI:37912 hydroxycoumarin CHEBI:37912 A spiro compound in which at least one of the cyclic components is an oxygen heterocyle. chebi_ontology oxaspiro compounds CHEBI:37948 oxaspiro compound CHEBI:37948 chebi_ontology Farbstoff Farbstoffe colorante colorantes dyes teinture teintures CHEBI:37958 dye CHEBI:37958 Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent. pyranone chebi_ontology oxopyrans pyranones pyrone pyrones CHEBI:37963 pyranone CHEBI:37963 A carbopolyclic compound comprising of three carbocyclic rings. chebi_ontology carbotricyclic compounds CHEBI:38032 carbotricyclic compound CHEBI:38032 A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. chebi_ontology antimalarials CHEBI:38068 antimalarial CHEBI:38068 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. chebi_ontology antiarrhythmic agent CHEBI:38070 anti-arrhythmia drug CHEBI:38070 A compound composed of two or more pyrrole units. Beilstein:8538310 chebi_ontology PPys poly(pyrrole)s polypyrroles CHEBI:38077 polypyrrole CHEBI:38077 Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. chebi_ontology heterocyclic organonitrogen compounds organonitrogen heterocyclic compounds CHEBI:38101 organonitrogen heterocyclic compound CHEBI:38101 Any organic heterocyclic compound containing at least one ring oxygen atom. PMID:17134300 chebi_ontology heterocyclic organooxygen compounds organooxygen heterocyclic compounds oxacycles CHEBI:38104 oxacycle CHEBI:38104 Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues. lactol lactols chebi_ontology lactols CHEBI:38131 lactol CHEBI:38131 CAS:9064-67-9 KEGG:C00211 Collagen chebi_ontology C4H6N2O3R2(C7H9N2O2R)n CHEBI:3815 Collagen CHEBI:3815 A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. CHEBI:23090 CHEBI:3585 CHEBI:6789 KEGG:C00917 KEGG:C02169 chebi_ontology Chelating agent Metal chelator chelating agents chelators complexon CHEBI:38161 chelator CHEBI:38161 chebi_ontology organic heterotetracyclic compounds CHEBI:38163 organic heterotetracyclic compound CHEBI:38163 chebi_ontology organic heteropentacyclic compounds CHEBI:38164 organic heteropentacyclic compound CHEBI:38164 CHEBI:25429 CHEBI:38075 chebi_ontology organic heteropolycyclic compounds CHEBI:38166 organic heteropolycyclic compound CHEBI:38166 chebi_ontology monocyclic heteroarenes CHEBI:38179 monocyclic heteroarene CHEBI:38179 chebi_ontology polycyclic heteroarenes CHEBI:38180 polycyclic heteroarene CHEBI:38180 A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'. chebi_ontology pyridinemonocarboxylates CHEBI:38181 pyridinemonocarboxylate CHEBI:38181 Any toxin produced by a plant. chebi_ontology phytotoxins CHEBI:38231 phytotoxin CHEBI:38231 Any inhibitor of a DNA polymerase. chebi_ontology CHEBI:38234 DNA polymerase inhibitor CHEBI:38234 chebi_ontology magnesium tetrapyrroles CHEBI:38251 magnesium tetrapyrrole CHEBI:38251 Any of a class of heterocyclic amines having a saturated five-membered ring. CHEBI:26922 CHEBI:38191 chebi_ontology CHEBI:38260 pyrrolidines CHEBI:38260 An alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. Beilstein:1098902 2-amino-3-hydroxybutanoic acid chebi_ontology 119.11920 AYFVYJQAPQTCCC-UHFFFAOYSA-N C4H9NO3 CC(O)C(N)C(O)=O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) CHEBI:38263 2-amino-3-hydroxybutanoic acid CHEBI:38263 A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. CAS:443-79-8 KEGG:C16434 PMID:10944265 Reaxys:1721790 2-amino-3-methylpentanoic acid chebi_ontology 131.17296 AGPKZVBTJJNPAG-UHFFFAOYSA-N C6H13NO2 CCC(C)C(N)C(O)=O InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) CHEBI:38264 2-amino-3-methylpentanoic acid CHEBI:38264 chebi_ontology CHEBI:38298 benzodioxoles CHEBI:38298 A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. CAS:79-92-5 HMDB:HMDB59839 KEGG:C06076 KNApSAcK:C00003029 PMID:15949824 PMID:23513745 Reaxys:1903765 Wikipedia:Camphene 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane Camphene chebi_ontology 136.23404 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane 2,2-dimethyl-3-methylenenorbornane 3,3-dimethyl-2-methylenenorbornane 3,3-dimethyl-2-methylenenorcamphane C10H16 CC1(C)C2CCC(C2)C1=C CRPUJAZIXJMDBK-UHFFFAOYSA-N Comphene InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3 CHEBI:3830 camphene CHEBI:3830 Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure). chebi_ontology CHEBI:38313 diazines CHEBI:38313 Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. chebi_ontology cholinergic agent cholinergic drugs cholinomimetic CHEBI:38323 cholinergic drug CHEBI:38323 Any drug that binds to and activates cholinergic receptors. chebi_ontology acetylcholine agonist acetylcholine agonists acetylcholine receptor agonist cholinergic agonists cholinomimetic cholinomimetics CHEBI:38324 cholinergic agonist CHEBI:38324 Any drug that binds to and activates a muscarinic cholinergic receptor. chebi_ontology muscarinic acetylcholine receptor agonist muscarinic agonists muscarinic cholinergic agonist muscarinic cholinergic agonists CHEBI:38325 muscarinic agonist CHEBI:38325 A pyrimidine carrying one or more oxo substituents. chebi_ontology pyrimidones CHEBI:38337 pyrimidone CHEBI:38337 chebi_ontology 1-benzopyrans CHEBI:38443 1-benzopyran CHEBI:38443 chebi_ontology chromenones CHEBI:38445 chromenone CHEBI:38445 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Wikipedia:Acetylcholinesterase_inhibitor chebi_ontology AChEI AcCholE inhibitor AcCholE inhibitors EC 3.1.1.7 (acetylcholinesterase) inhibitors EC 3.1.1.7 inhibitor EC 3.1.1.7 inhibitors acetyl.beta-methylcholinesterase inhibitor acetyl.beta-methylcholinesterase inhibitors acetylcholine acetylhydrolase inhibitor acetylcholine acetylhydrolase inhibitors acetylcholine esterase inhibitor acetylcholine hydrolase inhibitor acetylcholine hydrolase inhibitors acetylcholinesterase (EC 3.1.1.7) inhibitor acetylcholinesterase (EC 3.1.1.7) inhibitors acetylcholinesterase inhibitor acetylcholinesterase inhibitors acetylthiocholinesterase inhibitor acetylthiocholinesterase inhibitors choline esterase I inhibitor choline esterase I inhibitors cholinesterase inhibitor cholinesterase inhibitors true cholinesterase inhibitor true cholinesterase inhibitors CHEBI:38462 EC 3.1.1.7 (acetylcholinesterase) inhibitor CHEBI:38462 chebi_ontology indole alkaloid fundamental parents CHEBI:38482 indole alkaloid fundamental parent CHEBI:38482 chebi_ontology ETC inhibitor electron transport chain inhibitors CHEBI:38496 electron-transport chain inhibitor CHEBI:38496 chebi_ontology respiratory chain inhibitor respiratory electron-transport chain inhibitor respiratory-chain inhibitors CHEBI:38497 respiratory-chain inhibitor CHEBI:38497 chebi_ontology quinoline alkaloid fundamental parents CHEBI:38514 quinoline alkaloid fundamental parent CHEBI:38514 chebi_ontology isoquinoline alkaloid fundamental parents CHEBI:38515 isoquinoline alkaloid fundamental parent CHEBI:38515 chebi_ontology spermidine alkaloids CHEBI:38524 spermidine alkaloid CHEBI:38524 chebi_ontology terpene alkaloid fundamental parents CHEBI:38525 terpene alkaloid fundamental parent CHEBI:38525 chebi_ontology pyridine alkaloid fundamental parents CHEBI:38528 pyridine alkaloid fundamental parent CHEBI:38528 chebi_ontology cyclopentapyrans CHEBI:38606 cyclopentapyran CHEBI:38606 CHEBI:22503 CHEBI:24792 chebi_ontology aminoalkylindoles CHEBI:38631 aminoalkylindole CHEBI:38631 Any agent that affects the transport of molecular entities across a biological membrane. chebi_ontology membrane transport modulators CHEBI:38632 membrane transport modulator CHEBI:38632 Any protein kinase inhibitor that interferes with the action of tyrosine kinase. Wikipedia:Tyrosine-kinase_inhibitor chebi_ontology TKI inhibitor TKI inhibitors protein tyrosine kinase inhibitor protein tyrosine kinase inhibitors tyrosine kinase inhibitors tyrphostin tyrphostins CHEBI:38637 tyrosine kinase inhibitor CHEBI:38637 CAS:25551-13-7 trimethylbenzene chebi_ontology C9H12 methylxylene trimethyl benzene trimethylbenzenes CHEBI:38641 trimethylbenzene CHEBI:38641 A methyl-branched fatty acid comprising a butyric acid core carrying a single methyl substituent. PMID:13105653 methylbutanoic acid chebi_ontology C5H10O2 CHEBI:38653 methylbutyric acid CHEBI:38653 Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives. chebi_ontology [*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C([*])([*])C1([*])[*] CHEBI:38672 flavans CHEBI:38672 Any hydroxyflavone carrying four hydroxy substituents. CHEBI:26924 CHEBI:27117 tetrahydroxyflavone chebi_ontology tetrahydroxyflavones CHEBI:38684 tetrahydroxyflavone CHEBI:38684 Any dianion containing at least one carboxy group. carboxylic acid dianion chebi_ontology carboxylic acid dianions CHEBI:38716 carboxylic acid dianion CHEBI:38716 A trianion containing at least one carboxy group. carboxylic acid trianion chebi_ontology carboxylic acid trianions CHEBI:38717 carboxylic acid trianion CHEBI:38717 Any methoxyflavanone that is flavanone substituted by a methoxy group. chebi_ontology monomethoxyflavanones CHEBI:38738 monomethoxyflavanone CHEBI:38738 A hydroxyflavanone carrying three hydroxy substituents. chebi_ontology trihydroxyflavanones CHEBI:38739 trihydroxyflavanone CHEBI:38739 A hydroxyflavanone with atleast four hydroxy substituents. chebi_ontology tetrahydroxyflavanones CHEBI:38742 tetrahydroxyflavanone CHEBI:38742 Any hydroxyflavanone carrying two hydroxy substituents. chebi_ontology dihydroxyflavanones CHEBI:38749 dihydroxyflavanone CHEBI:38749 Any polyamine that contained three amino groups. triamines chebi_ontology CHEBI:38751 triamine CHEBI:38751 Member of the class of isoflavones bearing at least one hydroxy group. chebi_ontology hydroxyisoflavones CHEBI:38755 hydroxyisoflavone CHEBI:38755 Members of the class of isoflavones with at least one methoxy substituent. chebi_ontology methoxyisoflavones CHEBI:38756 methoxyisoflavone CHEBI:38756 Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives. CHEBI:24889 CHEBI:24894 MetaCyc:Isoflavones isoflavones chebi_ontology [*]c1oc2c([*])c([*])c([*])c([*])c2c(=O)c1-c1c([*])c([*])c([*])c([*])c1[*] an isoflavone CHEBI:38757 isoflavones CHEBI:38757 A gamma-lactone that has formula C15H18O5. CAS:2571-86-0 KEGG:C09379 KNApSAcK:C00003238 Coriamyrtin chebi_ontology 278.301 BWWDLKVKPVKBGJ-TWMZOSGRSA-N C15H18O5 CC(=C)[C@@H]1[C@@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)[C@H]1C(=O)O2 InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11-,13-,14+,15-/m0/s1 CHEBI:3882 Coriamyrtin CHEBI:3882 An organic heteropolycyclic compound whose skeleton consists of a chromene ring fused onto a 1-benzofuran ring, together with their substituted derivatives. chebi_ontology benzofurochromenes CHEBI:38834 benzofurochromene CHEBI:38834 An alkaloid containing an indole skeleton. CHEBI:24795 CHEBI:5901 KEGG:C06073 Wikipedia:Indole_alkaloid Indole alkaloid chebi_ontology indole alkaloids CHEBI:38958 indole alkaloid CHEBI:38958 Any alkylbenzene that is benzene substituted with one or more methyl groups. chebi_ontology methylbenzenes CHEBI:38975 methylbenzene CHEBI:38975 A monocyclic arene that is benzene substituted with one or more alkyl groups. alkylbenzene chebi_ontology Alkylbenzol alkylbenzenes CHEBI:38976 alkylbenzene CHEBI:38976 calcium cation chebi_ontology Ca calcium cations CHEBI:39123 calcium cation CHEBI:39123 calcium ion chebi_ontology Ca calcium ions CHEBI:39124 calcium ion CHEBI:39124 barium cation chebi_ontology Ba barium cations CHEBI:39125 barium cation CHEBI:39125 barium ion chebi_ontology Ba barium ions CHEBI:39126 barium ion CHEBI:39126 Any magnesium ion that is positively charged. magnesium cation chebi_ontology Mg CHEBI:39127 magnesium cation CHEBI:39127 magnesium ion chebi_ontology Mg magnesium ions CHEBI:39128 magnesium ion CHEBI:39128 strontium cation chebi_ontology Sr Sr cation strontium cations CHEBI:39129 strontium cation CHEBI:39129 strontium ion chebi_ontology Sr strontium ions CHEBI:39130 strontium ion CHEBI:39130 chebi_ontology CHEBI:39131 elemental strontium CHEBI:39131 A molecular entity capable of donating a hydron to an acceptor (Bronsted base). Bronsted acid chebi_ontology Bronsted-Saeure acide de Bronsted donneur d'hydron hydron donor CHEBI:39141 Bronsted acid CHEBI:39141 A molecular entity capable of accepting a hydron from a donor (Bronsted acid). Bronsted base chebi_ontology Bronsted-Base accepteur d'hydron base de Bronsted hydron acceptor CHEBI:39142 Bronsted base CHEBI:39142 A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct. Lewis base chebi_ontology Lewis-Base base de Lewis donneur d'une paire d'electrons electron donor CHEBI:39144 Lewis base CHEBI:39144 chebi_ontology dibenzopyrroles CHEBI:39205 dibenzopyrrole CHEBI:39205 A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively. Beilstein:1702194 CAS:502-61-4 3,7,11-trimethyldodeca-1,3,6,10-tetraene chebi_ontology 2,6,10-trimethyldodeca-2,6,9,11-tetraene 204.35106 3,7,11-trimethyl-1,3,6,10-dodecatetraene C15H24 CXENHBSYCFFKJS-UHFFFAOYSA-N InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3 [H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C CHEBI:39236 alpha-farnesene CHEBI:39236 A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene. Wikipedia:Farnesene chebi_ontology C15H24 CHEBI:39237 farnesene CHEBI:39237 Any chemical substance that inhibits the life-cycle of an organism. chebi_ontology growth regulators CHEBI:39317 growth regulator CHEBI:39317 Any saturated fatty acid with a carbon side-chain or isopropyl termination. branched-chain saturated fatty acid chebi_ontology branched saturated fatty acid branched saturated fatty acids branched-chain saturated fatty acids CHEBI:39417 branched-chain saturated fatty acid CHEBI:39417 Any saturated fatty acid lacking a side-chain. PMID:15644336 straight-chain saturated fatty acid chebi_ontology straight-chain saturated fatty acids CHEBI:39418 straight-chain saturated fatty acid CHEBI:39418 chebi_ontology furochromenes CHEBI:39432 furochromene CHEBI:39432 A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy. chebi_ontology CHEBI:39442 fluorescent probe CHEBI:39442 CHEBI:13784 CHEBI:26445 CHEBI:7263 chebi_ontology CHEBI:39446 pyrimidine ribonucleosides CHEBI:39446 Any compound having a pyrimidine as part of its structure. CHEBI:13681 CHEBI:26448 chebi_ontology CHEBI:39447 pyrimidines CHEBI:39447 Any azaalkane in which two or more carbons in the chain are replaced by nitrogen. chebi_ontology polyazaalkanes CHEBI:39474 polyazaalkane CHEBI:39474 A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. CHEBI:29137 CHEBI:39739 DrugBank:DB02831 Gmelin:1999 PDBeChem:2HP dihydrogen(tetraoxidophosphate)(1-) dihydrogenphosphate dihydrogentetraoxophosphate(1-) dihydrogentetraoxophosphate(V) dihydroxidodioxidophosphate(1-) chebi_ontology 96.98724 DIHYDROGENPHOSPHATE ION H2O4P H2PO4(-) InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1 NBIIXXVUZAFLBC-UHFFFAOYSA-M [H]OP([O-])(=O)O[H] [PO2(OH)2](-) CHEBI:39745 dihydrogenphosphate CHEBI:39745 KEGG:C02019 Cyclic ketone cyclic ketones chebi_ontology CHEBI:3992 cyclic ketone CHEBI:3992 A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl. CHEBI:12531 CHEBI:41134 Beilstein:1758492 DrugBank:DB04455 ECMDB:ECMDB04024 Gmelin:324712 PDBeChem:BET Reaxys:1758492 carboxy-N,N,N-trimethylmethanaminium chebi_ontology 118.154 C5H12NO2 InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1 KWIUHFFTVRNATP-UHFFFAOYSA-O TRIMETHYL GLYCINE [N+](C)(C)(C)CC(=O)O CHEBI:41139 N,N,N-trimethylglycinium CHEBI:41139 A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. CHEBI:2077 CHEBI:42598 Beilstein:110889 CAS:67-47-0 Gmelin:278693 HMDB:HMDB34355 KEGG:C11101 KNApSAcK:C00029547 MetaCyc:CPD-11572 PDBeChem:FUX PMID:1556177 PMID:20082406 PMID:20420424 PMID:21838257 PMID:22264628 PMID:22757699 PMID:23106038 PMID:24001819 PMID:24054253 PMID:24054256 PMID:24399510 PMID:24399607 PMID:24408726 PMID:24444020 PMID:24518321 PMID:2917974 PMID:6391997 Patent:GB591858 Patent:GB600871 Patent:US2929823 Patent:US2994645 Patent:US3066150 Patent:US3071599 Reaxys:110889 Wikipedia:Hydroxymethylfurfural 5-(hydroxymethyl)furan-2-carbaldehyde 5-hydroxymethylfurfural chebi_ontology 126.11000 2-Hydroxymethyl-5-furfural 5-(Hydroxymethyl)-2-furancarbonal 5-(Hydroxymethyl)-2-furancarboxaldehyde 5-(Hydroxymethyl)-2-furfural 5-(Hydroxymethyl)-2-furfuraldehyde 5-(Hydroxymethyl)furan-2-aldehyde 5-(Hydroxymethyl)furfural 5-(Hydroxymethyl)furfurole 5-(hydroxymethyl)-2-furaldehyde 5-HMF 5-Hydroxymethyl-2-formylfuran 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarbaldehyde 5-Hydroxymethyl-2-furfural 5-Hydroxymethylfuraldehyde 5-Hydroxymethylfuran-2-aldehyde 5-Hydroxymethylfurfuraldehyde 5-Oxymethylfurfurole C6H6O3 HMF Hydroxymethylfurfural Hydroxymethylfurfuralaldehyde Hydroxymethylfurfuraldehyde Hydroxymethylfurfurole InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 NOEGNKMFWQHSLB-UHFFFAOYSA-N [H]C(=O)c1ccc(CO)o1 CHEBI:412516 5-hydroxymethylfurfural CHEBI:412516 A galactopyranose having D-configuration. Beilstein:1281605 CAS:10257-28-0 CAS:59-23-4 Gmelin:83257 KEGG:C00124 KNApSAcK:C00019681 PMID:1378088 PMID:17336832 PMID:19913595 Reaxys:1281605 Wikipedia:Galactose D-galactopyranose chebi_ontology 180.15590 C6H12O6 D-Galactose D-galactose InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O WQZGKKKJIJFFOK-SVZMEOIVSA-N CHEBI:4139 D-galactopyranose CHEBI:4139 CHEBI:23029 CHEBI:41396 PDBeChem:CBM CARBOXYMETHYL GROUP carboxymethyl chebi_ontology -CH2-COOH 59.04402 C2H3O2 aspartic acid side-chain CHEBI:41402 carboxymethyl group CHEBI:41402 A carbon oxoanion that has formula 60.00890. CHEBI:29201 CHEBI:41605 Beilstein:3600898 CAS:3812-32-6 Gmelin:1559 PDBeChem:CO3 carbonate trioxidocarbonate(2-) chebi_ontology 60.00890 BVKZGUZCCUSVTD-UHFFFAOYSA-L CARBONATE ION CO3 CO3(2-) InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2 Karbonat [CO3](2-) [O-]C([O-])=O CHEBI:41609 carbonate CHEBI:41609 A glucopyranose having D-configuration. Beilstein:1281604 CAS:2280-44-6 Gmelin:83256 HMDB:HMDB00122 KEGG:C00031 KEGG:D00009 KNApSAcK:C00001122 MetaCyc:D-Glucose PMID:15987845 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17928662 PMID:19913595 PMID:26812026 PMID:7524207 PMID:9140037 PMID:9501190 PMID:9506998 PMID:9545565 Reaxys:1281604 Wikipedia:Glucose D-glucopyranose chebi_ontology 180.15588 C6H12O6 D-Glc D-Glcp D-Glucose D-glucose Dextrose Glc-OH Glucose Grape sugar InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O WQZGKKKJIJFFOK-GASJEMHNSA-N glucose CHEBI:4167 D-glucopyranose CHEBI:4167 A straight-chain alkane with 10 carbon atoms. CHEBI:32894 CHEBI:41801 Beilstein:1696981 CAS:124-18-5 DrugBank:DB02826 Gmelin:67816 HMDB:HMDB31450 LIPID_MAPS_instance:LMFA11000568 MetaCyc:CPD-9287 PDBeChem:D10 PMID:11762597 Reaxys:1696981 Wikipedia:Decane DECANE decane chebi_ontology 142.28168 C10H22 CCCCCCCCCC CH3-[CH2]8-CH3 DIOQZVSQGTUSAI-UHFFFAOYSA-N Dekan InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 n-Dekan n-decane CHEBI:41808 decane CHEBI:41808 A hexose that has D-configuration at position 5. KEGG:C00738 D-Hexose D-hexopyranose D-hexose chebi_ontology C6H12O6 D-hexoses CHEBI:4194 D-hexose CHEBI:4194 An optically active form of lactic acid having (R)-configuration. CHEBI:341 CHEBI:42105 CHEBI:43701 Beilstein:1720252 CAS:10326-41-7 DrugBank:DB03066 DrugBank:DB04398 Gmelin:362718 HMDB:HMDB01311 KEGG:C00256 KNApSAcK:C00019549 PDBeChem:LAC PMID:21842515 PMID:22127808 PMID:22277286 PMID:22344644 Reaxys:1720252 Wikipedia:Lactic_acid (2R)-2-hydroxypropanoic acid chebi_ontology (-)-lactic acid (R)-(-)-lactic acid 90.07794 C3H6O3 C[C@@H](O)C(O)=O D-2-Hydroxypropanoic acid D-2-Hydroxypropionic acid D-Lactic acid D-Milchsaeure D-lactic acid InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 JVTAAEKCZFNVCJ-UWTATZPHSA-N LACTIC ACID CHEBI:42111 (R)-lactic acid CHEBI:42111 An optically active form of lactic acid having (S)-configuration. Beilstein:1720251 CAS:79-33-4 Gmelin:362717 HMDB:HMDB00190 KEGG:C00186 KNApSAcK:C00001191 PMID:21996028 PMID:22336740 PMID:22367529 PMID:22424924 PMID:22443585 PMID:22461545 PMID:22534372 PMID:22538963 PMID:22578598 Reaxys:1720251 Wikipedia:Lactic_Acid (2S)-2-hydroxypropanoic acid chebi_ontology (+)-lactic acid (S)-(+)-lactic acid (S)-2-hydroxypropanoic acid (S)-2-hydroxypropionic acid 90.07794 C3H6O3 C[C@H](O)C(O)=O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 JVTAAEKCZFNVCJ-REOHCLBHSA-N L-(+)-alpha-hydroxypropionic acid L-(+)-lactic acid L-Lactic acid L-Milchsaeure CHEBI:422 (S)-lactic acid CHEBI:422 A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. CHEBI:42221 CHEBI:4782 Beilstein:1888141 CAS:518-82-1 DrugBank:DB07715 KEGG:C10343 KNApSAcK:C00000555 LINCS:LSM-18994 LIPID_MAPS_instance:LMPK13040008 PDBeChem:EMO PMID:12563347 PMID:12657721 PMID:16077936 PMID:16388516 PMID:16959273 PMID:17019678 PMID:17022020 PMID:17340270 PMID:18193729 PMID:18387517 PMID:18473931 PMID:19089830 PMID:19409890 PMID:19505457 PMID:19799875 PMID:19921750 PMID:20139316 PMID:21834668 PMID:22020806 PMID:22137788 PMID:22144110 PMID:22271272 PMID:22378302 PMID:22426603 PMID:22452333 PMID:22484343 Reaxys:1888141 Wikipedia:Emodin 1,3,8-trihydroxy-6-methylanthra-9,10-quinone Emodin chebi_ontology 1,3,8-trihydroxy-6-methyl-9,10-anthracenedione 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone 270.23690 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE C15H10O5 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 RHMXXJGYXNZAPX-UHFFFAOYSA-N Schuttgelb CHEBI:42223 emodin CHEBI:42223 A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. CHEBI:31029 CHEBI:42251 Beilstein:3655868 CAS:970-74-1 HMDB:HMDB38361 KEGG:C12136 KNApSAcK:C00008818 LINCS:LSM-20967 LIPID_MAPS_instance:LMPK12020004 MetaCyc:CPD-10411 PDBeChem:EGT PMID:10775337 PMID:19653629 PMID:19937856 Reaxys:94057 (-)-Epigallocatechin (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (-)-3,3',4',5,5',7-Flavanhexol (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 2,3-cis-epigallocatechin 306.26746 C15H14O7 Epigallocatechol InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 L-Epigallocatechin O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 XMOCLSLCDHWDHP-IUODEOHRSA-N CHEBI:42255 (-)-epigallocatechin CHEBI:42255 A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. CHEBI:39419 CHEBI:42392 Beilstein:1795192 CAS:2433-96-7 DrugBank:DB03500 HMDB:HMDB01160 LIPID_MAPS_instance:LMFA01010023 MetaCyc:CPD-7834 PDBeChem:F23 PMID:20117838 Reaxys:1795192 tricosanoic acid chebi_ontology 354.61010 C23H46O2 CCCCCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25) XEZVDURJDFGERA-UHFFFAOYSA-N n-tricosanoic acid CHEBI:42394 tricosanoic acid CHEBI:42394 CHEBI:24089 CHEBI:42480 PDBeChem:FOR FORMYL GROUP aldehyde group carbaldehyde formyl chebi_ontology -CH(O) -CHO 29.01804 CHO Fo H-CO- methanoyl CHEBI:42485 formyl group CHEBI:42485 The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. CHEBI:42486 CHEBI:5076 Beilstein:157598 CAS:525-82-6 DrugBank:DB07776 Gmelin:1224858 HMDB:HMDB03075 KEGG:C10043 KEGG:C15608 KNApSAcK:C00001040 LIPID_MAPS_instance:LMPK12110097 MetaCyc:CPD-8485 PDBeChem:FLN PMID:11370674 PMID:12063116 PMID:17347140 PMID:18596412 Reaxys:157598 2-phenyl-4H-chromen-4-one Flavone chebi_ontology 2-PHENYL-4H-CHROMEN-4-ONE 2-Phenyl-4-benzopyron 2-Phenyl-4-chromone 2-Phenylbenzopyran-4-one 2-phenyl-4H-1-benzopyran-4-one 2-phenyl-4H-benzopyran-4-one 2-phenyl-gamma-benzopyrone 2-phenylchromone 222.23870 C15H10O2 Flavon InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H O=c1cc(oc2ccccc12)-c1ccccc1 VHBFFQKBGNRLFZ-UHFFFAOYSA-N CHEBI:42491 flavone CHEBI:42491 A straight-chain, fifteen-carbon carboxylic acid with no heteroatoms; a long-chain of mainly ruminant origin. CHEBI:39108 CHEBI:42502 Beilstein:1773831 CAS:1002-84-2 HMDB:HMDB00826 KEGG:C16537 KNApSAcK:C00007423 LIPID_MAPS_instance:LMFA01010015 PDBeChem:F15 PMID:23442377 PMID:24930002 Reaxys:1773831 Wikipedia:Pentadecanoic_acid PENTADECANOIC ACID pentadecanoic acid chebi_ontology 15:00 242.39750 C15 C15:0 C15H30O2 CCCCCCCCCCCCCCC(O)=O InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) Pentadecylic acid WQEPLUUGTLDZJY-UHFFFAOYSA-N n-Pentadecanoic acid n-pentadecanoic acid pentadecylic acid CHEBI:42504 pentadecanoic acid CHEBI:42504 An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group. CAS:103-65-1 HMDB:HMDB59877 PMID:23423853 PMID:24636564 Reaxys:1903006 propylbenzene chebi_ontology 1-Phenylpropane 1-Propylbenzene 120.19160 C9H12 CCCc1ccccc1 InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 Isocumene ODLMAHJVESYWTB-UHFFFAOYSA-N Phenylpropane n-Propylbenzene CHEBI:42630 propylbenzene CHEBI:42630 A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. CHEBI:18871 CHEBI:42636 CAS:96-48-0 DrugBank:DB04699 HMDB:HMDB00549 KEGG:C01770 PDBeChem:GBL PMID:12429914 PMID:23245230 PMID:24500753 Reaxys:105248 UM-BBD_compID:c0033 Wikipedia:Gamma-Butyrolactone GAMMA-BUTYROLACTONE dihydrofuran-2(3H)-one gamma-butyrolactone chebi_ontology 1,2-butanolide 1,4-Butanolide 1,4-Lactone 4-Butyrolactone 4-Deoxytetronic acid 4-Hydroxybutyric acid lactone 86.08920 Butyrolactone C4H6O2 InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 O=C1CCCO1 YEJRWHAVMIAJKC-UHFFFAOYSA-N dihydro-2(3H)-furanone gamma-butanolactone gamma-hydroxybutyric acid lactone gamma-hydroxybutyrolactone tetrahydrofuran-2-one CHEBI:42639 gamma-butyrolactone CHEBI:42639 CHEBI:24706 CHEBI:43171 PDBeChem:HYD HYDROXY GROUP hydroxy hydroxy group oxidanyl chebi_ontology -OH 17.00734 HO hydroxyl hydroxyl group CHEBI:43176 hydroxy group CHEBI:43176 A pyrimidone that has formula C4H6N2O2. PDBeChem:HPY (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one chebi_ontology 114.10272 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE C4H6N2O2 DEAAWXYGBWCVJW-VKHMYHEASA-N InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1 [H]O[C@]1([H])N([H])C(=O)N([H])C([H])=C1[H] CHEBI:43254 (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one CHEBI:43254 A phosphate ion that is the conjugate base of dihydrogenphosphate. CHEBI:29139 CHEBI:43470 Gmelin:1998 MolBase:1628 PDBeChem:IPS PDBeChem:PI hydrogen(tetraoxidophosphate)(2-) hydrogenphosphate hydrogentetraoxophosphate(2-) hydrogentetraoxophosphate(V) hydroxidotrioxidophosphate(2-) chebi_ontology 95.97930 HO4P HPO4(2-) HYDROGENPHOSPHATE ION INORGANIC PHOSPHATE GROUP InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2 NBIIXXVUZAFLBC-UHFFFAOYSA-L OP([O-])([O-])=O [P(OH)O3](2-) [PO3(OH)](2-) hydrogen phosphate phosphate CHEBI:43474 hydrogenphosphate CHEBI:43474 A pyranone that is 4H-pyran substituted by a hydroxy group at position 5, a hydroxymethyl group at position 2 and an oxo group at position 4. It has been isolated from the fungus Aspergillus oryzae. CHEBI:34805 CHEBI:43568 Beilstein:120895 CAS:501-30-4 DrugBank:DB01759 Gmelin:3620 HMDB:HMDB32923 KEGG:C14516 MetaCyc:KOJIC-ACID PDBeChem:KOJ PMID:11534762 PMID:1348188 PMID:15039076 PMID:16198580 PMID:18083129 PMID:19471877 PMID:20943172 PMID:23683589 PMID:24116376 PMID:7714722 PMID:8987542 Patent:AU2012268879 Patent:JP2013017408 Reaxys:120895 Wikipedia:Kojic_acid 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one Kojic acid chebi_ontology 142.10940 5-Hydroxy-2-(hydroxymethyl)-4-pyrone 5-hydroxy-2-hydroxymethyl-4-pyrone BEJNERDRQOWKJM-UHFFFAOYSA-N C6H6O4 InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 Kojisaeure OCc1cc(=O)c(O)co1 acido kojico CHEBI:43572 kojic acid CHEBI:43572 A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata. CHEBI:32929 CHEBI:43618 Beilstein:1700722 CAS:112-95-8 HMDB:HMDB59909 PDBeChem:LFA PMID:23459067 PMID:23880873 PMID:23899195 Reaxys:1700722 Wikipedia:Icosane icosane chebi_ontology 282.54748 C20H42 CBFCDTFDPHXCNY-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCC CH3-[CH2]18-CH3 EICOSANE InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 eicosane n-eicosane octyldodecane CHEBI:43619 icosane CHEBI:43619 A diterpenoid that has formula C24H39NO7. CAS:545-56-2 KEGG:C08676 KNApSAcK:C00001632 Delcosine chebi_ontology 453.570 BMZNJVXOLCBDPZ-AXCJZLSHSA-N C24H39NO7 CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14 InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22-,23+,24-/m1/s1 CHEBI:4381 Delcosine CHEBI:4381 A diterpenoid that has formula C33H45NO9. CAS:561-07-9 KEGG:C08677 KNApSAcK:C00001633 Delphinine chebi_ontology 599.713 C33H45NO9 COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](C[C@@H]6OC)(OC(C)=O)[C@@H]([C@H](OC)[C@H]13)C4N(C)C2 InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1 REVYTWNGZDPRKE-UWZYQZSNSA-N CHEBI:4384 Delphinine CHEBI:4384 A benzofuran that has formula C21H24O5. CAS:87402-88-8 KEGG:C10554 KNApSAcK:C00000671 Denudatin B chebi_ontology 356.413 C21H24O5 COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@@]2(OC)[C@@H]1C InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21-/m1/s1 VDYACOATPFOZIO-HBUDHLSFSA-N CHEBI:4401 Denudatin B CHEBI:4401 An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. CHEBI:132398 CHEBI:76525 CAS:19130-96-2 DrugBank:DB03206 HMDB:HMDB35359 KEGG:C16843 KEGG:D09605 KNApSAcK:C00029420 MetaCyc:1-DEOXYNOJIRIMYCIN PDBeChem:NOJ PMID:23265519 PMID:23391926 PMID:23536174 PMID:23561072 PMID:23570294 PMID:23648852 PMID:23755289 PMID:23909841 PMID:24050301 PMID:26292150 PMID:26867190 PMID:26927057 PMID:27160849 PMID:27294120 Reaxys:1524395 Wikipedia:1-Deoxynojirimycin (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol chebi_ontology 1,5-Deoxy-1,5-imino-D-mannitol 1,5-Dideoxy-1,5-imino-D-glucitol 1,5-deoxy-1,5-imino-D-mannitol 1,5-dideoxy-1,5-imino-D-glucitol 1-DEOXYNOJIRIMYCIN 1-Deoxymannojirimycin 1-Deoxynojirimycin 163.17170 5-amino-1,5-dideoxy-D-glucopyranose BAY-H-5595 C6H13NO4 D-1-deoxynojirimycin DNJ InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 LXBIFEVIBLOUGU-JGWLITMVSA-N Moranolin Moranoline OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O duvoglustat CHEBI:44369 duvoglustat CHEBI:44369 A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. CHEBI:32910 CHEBI:45292 Beilstein:1736592 CAS:544-76-3 Gmelin:103739 HMDB:HMDB33792 PDBeChem:R16 PMID:17314143 PMID:19114507 PMID:205235 PMID:24657864 PMID:24765642 PMID:2480087 PMID:27439360 Reaxys:1736592 Wikipedia:Hexadecane HEXADECANE hexadecane chebi_ontology 226.442 C(CCCCCCCCCC)CCCCC C16H34 CH3-[CH2]14-CH3 Cetan DCAYPVUWAIABOU-UHFFFAOYSA-N Hexadekan InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 Zetan cetane n-cetane n-hexadecane CHEBI:45296 hexadecane CHEBI:45296 CHEBI:30352 CHEBI:45554 PDBeChem:SBU 1-methylpropyl SEC-BUTYL GROUP butan-2-ido butan-2-yl sec-butyl chebi_ontology -CH(CH3)-CH2-CH3 57.11426 C4H9 CH3-CH2-CH(CH3)- but-2-yl isoleucine side-chain s-butyl CHEBI:45557 sec-butyl group CHEBI:45557 A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. CHEBI:24519 CHEBI:45568 Beilstein:1744723 CAS:111-14-8 DrugBank:DB02938 Gmelin:142428 HMDB:HMDB00666 KEGG:C17714 LIPID_MAPS_instance:LMFA01010007 MetaCyc:CPD-7619 PDBeChem:SHV PMID:23999410 Reaxys:1744723 Wikipedia:Heptanoic_acid HEPTANOIC ACID heptanoic acid chebi_ontology 130.18486 C7H14O2 CCCCCCC(O)=O CH3-[CH2]5-COOH Heptansaeure InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Oenanthsaeure enanthic acid enanthylic acid heptoic acid heptylic acid n-heptanoic acid n-heptoic acid n-heptylic acid oenanthic acid oenanthylic acid CHEBI:45571 heptanoic acid CHEBI:45571 An organophosphate oxoanion that is the trianion of adenosine 5'-diphosphate arising from deprotonation of all three OH groups of the diphosphate; major species present at pH 7.3. Beilstein:3783669 Gmelin:341336 adenosine 5'-diphosphate chebi_ontology 424.17730 5'-O-[(phosphonatooxy)phosphinato]adenosine ADP ADP trianion C10H12N5O10P2 InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O XTWYTFMLZFPYCI-KQYNXXCUSA-K CHEBI:456216 ADP(3-) CHEBI:456216 A straight-chain alkane with 11 carbon atoms. CHEBI:32899 CHEBI:46341 Beilstein:1697099 CAS:1120-21-4 Gmelin:142928 MetaCyc:CPD-9289 PDBeChem:UND Reaxys:1697099 Wikipedia:Undecane UNDECANE undecane chebi_ontology 156.30826 C11H24 CCCCCCCCCCC CH3-[CH2]9-CH3 Hendekan InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 RSJKGSCJYJTIGS-UHFFFAOYSA-N Undekan hendecane n-undecane CHEBI:46342 undecane CHEBI:46342 CHEBI:29353 CHEBI:44607 PDBeChem:OXO OXO GROUP oxo chebi_ontology 15.99940 =O O CHEBI:46629 oxo group CHEBI:46629 chebi_ontology azaalkanes CHEBI:46686 azaalkane CHEBI:46686 Any carbonate that is carbonic acid in which the hydrogens have been replaced by organyl groups. Wikipedia:Carbonate_ester carbonate ester chebi_ontology CHEBI:46722 carbonate ester CHEBI:46722 A liquid that can dissolve other substances (solutes) without any change in their chemical composition. Wikipedia:Solvent chebi_ontology Loesungsmittel solvant solvents CHEBI:46787 solvent CHEBI:46787 CHEBI:23025 CHEBI:41420 PDBeChem:CBX CARBOXY GROUP carboxy chebi_ontology -C(O)OH -CO2H -COOH 45.01744 CHO2 carboxyl group CHEBI:46883 carboxy group CHEBI:46883 A dicarboxylic acid monoanion that is the conjugate base of oxalic acid. Beilstein:3601755 Gmelin:49515 carboxyformate chebi_ontology 89.02694 C2HO4 Hox InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1 MUBZPKHOEPUJKR-UHFFFAOYSA-M OC(=O)C([O-])=O hydrogen ethanedioate hydrogen oxalate CHEBI:46904 oxalate(1-) CHEBI:46904 Compounds containing an anthracene skeleton. chebi_ontology CHEBI:46955 anthracenes CHEBI:46955 The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol. CAS:21453-69-0 KEGG:C10889 KNApSAcK:C00002631 PMID:21500777 Reaxys:4585066 (+)-Syringaresinol (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol chebi_ontology 4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol) 418.43700 C22H26O8 InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 KOWMJRJXZMEZLD-HCIHMXRSSA-N [H][C@]12CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1cc(OC)c(O)c(OC)c1 CHEBI:47 (+)-syringaresinol CHEBI:47 Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring. PMID:6047194 chebi_ontology tetrahydrofuranones CHEBI:47016 tetrahydrofuranone CHEBI:47016 chebi_ontology tetrahydrofuranols CHEBI:47017 tetrahydrofuranol CHEBI:47017 chebi_ontology dihydroxytetrahydrofurans CHEBI:47019 dihydroxytetrahydrofuran CHEBI:47019 Any carboxylic ester where the carboxylic acid component is acetic acid. CHEBI:13244 CHEBI:13799 CHEBI:22189 CHEBI:2406 KEGG:C01883 Wikipedia:Acetate#Esters chebi_ontology 59.04400 Acetic ester Acetyl ester C2H3O2R CC(=O)O[*] acetate acetate esters acetates acetyl esters an acetyl ester CHEBI:47622 acetate ester CHEBI:47622 Any oxo steroid carrying an oxo group at position 16. CHEBI:13583 CHEBI:19161 CHEBI:770 KEGG:C01986 chebi_ontology 16-Oxosteroid 16-oxo steroids 16-oxosteroid 16-oxosteroids CHEBI:47786 16-oxo steroid CHEBI:47786 Any oxo steroid where an oxo substituent is located at position 3. CHEBI:13607 CHEBI:1653 CHEBI:20182 CHEBI:71186 KEGG:C01876 chebi_ontology 3-Oxosteroid 3-oxo steroids 3-oxosteroids a 3-oxosteroid CHEBI:47788 3-oxo steroid CHEBI:47788 Organic heterobicyclic compounds containing a two furan rings ortho-fused to each other. chebi_ontology furofurans CHEBI:47790 furofuran CHEBI:47790 Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc. chebi_ontology Indikator CHEBI:47867 indicator CHEBI:47867 A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells. chebi_ontology photosensitising agent CHEBI:47868 photosensitizing agent CHEBI:47868 CHEBI:26762 KEGG:C15506 chebi_ontology steroid esters CHEBI:47880 steroid ester CHEBI:47880 macrocyclic polypyrroles chebi_ontology cyclic polypyrroles polypyrrole macrocycles CHEBI:47882 cyclic polypyrrole CHEBI:47882 A 3-oxo steroid conjugated to a C=C double bond at the alpha,beta position. CHEBI:13604 CHEBI:1626 CHEBI:20157 KEGG:C00619 chebi_ontology 272.42500 3-Oxo-delta4-steroid 3-oxo Delta(4)-steroids 3-oxo-Delta(4)-steroid C19H28O CC12CCCC1C1CCC3=CC(=O)CCC3(C)C1CC2 InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3 MSEZLHAVPJYYIQ-UHFFFAOYSA-N CHEBI:47909 3-oxo Delta(4)-steroid CHEBI:47909 Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. CHEBI:13638 CHEBI:24044 CHEBI:5077 KEGG:C01579 Wikipedia:Flavonoid Flavonoid flavonoid chebi_ontology 2-aryl-1-benzopyran 2-aryl-1-benzopyrans flavonoids CHEBI:47916 flavonoid CHEBI:47916 Any hydroxyflavanone with a hydroxy substituent at position 3' of the phenyl ring. MetaCyc:3-Hydroxy-Flavanones chebi_ontology a 3'-hydroxyflavanone CHEBI:48024 3'-hydroxyflavanones CHEBI:48024 An olefin that contains more than one carbon-carbon double bond. chebi_ontology polyenes CHEBI:48121 polyene CHEBI:48121 A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body). Wikipedia:Antiseptic chebi_ontology antiseptic antiseptic agent antiseptic agents antiseptics local antiinfective agents local microbicides topical antiinfective agents topical microbicides CHEBI:48218 antiseptic drug CHEBI:48218 An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. chebi_ontology Desinfektionsmittel desinfectant disinfectants disinfecting agent CHEBI:48219 disinfectant CHEBI:48219 A tetritol that is butane substituted by hydroxy groups at positions 1, 2, 3 and 4. Beilstein:1735878 CAS:149-32-6 CAS:7541-59-5 KEGG:C00503 KEGG:D08915 KNApSAcK:C00001161 Reaxys:1735878 butane-1,2,3,4-tetrol chebi_ontology 1,2,3,4-tetrahydroxybutane 122.11980 C4H10O4 Erythrite Erythrol InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 OCC(O)C(O)CO Phycite Phycitol UNXHWFMMPAWVPI-UHFFFAOYSA-N CHEBI:48299 butane-1,2,3,4-tetrol CHEBI:48299 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. chebi_ontology Parfuem aroma arome essence parfum perfume scent CHEBI:48318 fragrance CHEBI:48318 Compounds of structure RSSR'. chebi_ontology disulfides CHEBI:48343 disulfide CHEBI:48343 A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. polar solvent chebi_ontology polar solvents CHEBI:48354 polar solvent CHEBI:48354 chebi_ontology non-polar solvents CHEBI:48355 non-polar solvent CHEBI:48355 A polar solvent that is capable of acting as a hydron (proton) donor. protogenic solvent chebi_ontology CHEBI:48356 protic solvent CHEBI:48356 protophilic solvent chebi_ontology HBA solvent hydrogen bond acceptor solvent CHEBI:48359 protophilic solvent CHEBI:48359 amphiprotic solvent chebi_ontology CHEBI:48360 amphiprotic solvent CHEBI:48360 An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. CHEBI:67170 Wikipedia:Angiogenesis_inhibitor chebi_ontology angiogenesis antagonist angiostatic agents anti-angiogenic agent CHEBI:48422 angiogenesis inhibitor CHEBI:48422 chebi_ontology CHEBI:48513 carbazoles CHEBI:48513 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). chebi_ontology ALR2 inhibitor ALR2 inhibitors EC 1.1.1.21 (aldehyde reductase) inhibitors EC 1.1.1.21 inhibitor EC 1.1.1.21 inhibitors NADPH-aldopentose reductase inhibitor NADPH-aldopentose reductase inhibitors NADPH-aldose reductase inhibitor NADPH-aldose reductase inhibitors aldehyde reductase (EC 1.1.1.21) inhibitor aldehyde reductase (EC 1.1.1.21) inhibitors aldehyde reductase inhibitor aldehyde reductase inhibitors alditol:NAD(P)(+) 1-oxidoreductase inhibitor alditol:NAD(P)(+) 1-oxidoreductase inhibitors alditol:NADP oxidoreductase inhibitor alditol:NADP oxidoreductase inhibitors alditol:NADP(+) 1-oxidoreductase inhibitor alditol:NADP(+) 1-oxidoreductase inhibitors aldose reductase inhibitor aldose reductase inhibitors polyol dehydrogenase (NADP(+)) inhibitor polyol dehydrogenase (NADP(+)) inhibitors CHEBI:48550 EC 1.1.1.21 (aldehyde reductase) inhibitor CHEBI:48550 A role played by a substance that can react readily with, and thereby eliminate, radicals. chebi_ontology free radical scavengers free-radical scavenger CHEBI:48578 radical scavenger CHEBI:48578 chebi_ontology hydroxypiperidines CHEBI:48590 hydroxypiperidine CHEBI:48590 An olefinic compound that has formula C10H12O. CAS:140-67-0 HMDB:HMDB34121 KEGG:C10452 KNApSAcK:C00002740 PMID:10552889 PMID:10995274 PMID:11161012 PMID:11884690 PMID:12575134 PMID:12617576 PMID:15922374 PMID:16826298 PMID:18095647 PMID:18266152 PMID:18618386 PMID:19167006 PMID:19913108 PMID:20552457 PMID:21291237 PMID:21469658 PMID:21834250 PMID:21922923 PMID:21969960 PMID:23010670 PMID:23020916 PMID:24421258 1-methoxy-4-(prop-2-en-1-yl)benzene Estragole chebi_ontology 1-Allyl-4-methoxybenzene 1-Methoxy-4-(2-propen-1-yl)-Benzene 1-Methoxy-4-(2-propen-1-yl)benzene 1-Methoxy-4-(2-propenyl)-Benzene 1-Methoxy-4-(2-propenyl)benzene, 9CI 1-Methoxy-4-prop-2-enylbenzene 148.202 3-(p-Methoxyphenyl)propene 4-Allyl-1-methoxybenzene 4-Allylanisole 4-Allylmethoxybenzene 4-Methoxyallylbenzene BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL Benzene, 1-methoxy, 4-prop-2-enyl C10H12O COc1ccc(CC=C)cc1 Chavicol methyl ether Chavicyl methyl ether Esdragol Esdragole Esdragon Estragol Estragol (methylchavicol) Ether, p-allylphenyl methyl FEMA 2411 InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 Isoanethole Isoanthethole Methyl chavicol Methyl chavicole Methyl chavicole (estragole) Methyl-Chavicol Methylchavicol O-Methyl-Chavicol P-Allylmethoxybenzene P-Allylphenyl methyl ether P-Methoxyallylbenzene Para-allylanisole (estragole) Tarragon Terragon ZFMSMUAANRJZFM-UHFFFAOYSA-N p-Allyl-Anisole p-Allylanisole p-Allylphenyl methyl ether CHEBI:4867 Estragole CHEBI:4867 Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own. agonist chebi_ontology agonista agoniste agonists CHEBI:48705 agonist CHEBI:48705 Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances. antagonist chebi_ontology antagonista antagoniste antagonists CHEBI:48706 antagonist CHEBI:48706 One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). CHEBI:546332 Beilstein:2038351 CAS:555-10-2 HMDB:HMDB36081 MetaCyc:Beta-phellandrene PMID:16780354 PMID:22978237 PMID:23074920 PMID:23162914 PMID:23285820 PMID:23472478 PMID:23659167 PMID:23738471 PMID:24354204 PMID:24427963 PMID:24617143 PMID:24689308 PMID:25115100 PMID:25230518 PMID:8460944 Reaxys:2038351 3-methylidene-6-(propan-2-yl)cyclohex-1-ene beta-phellandrene p-mentha-1(7),2-diene chebi_ontology 136.23404 2-p-menthadiene 3-isopropyl-6-methylene-1-cyclohexene 3-methylene-6-(1-methylethyl)cyclohexene 4-isopropyl-1-methylene-2-cyclohexene C10H16 CC(C)C1CCC(=C)C=C1 InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3 LFJQCDVYDGGFCH-UHFFFAOYSA-N beta-Phellandren CHEBI:48741 beta-phellandrene CHEBI:48741 Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. chebi_ontology Anticholinergika Anticholinergikum acetylcholine antagonists acetylcholine receptor antagonist agent anticholinergique agente anticolinergico agentes anticolinergicos anticholinergic agents anticholinergics anticholinergiques anticolinergicos cholinergic-blocking agents CHEBI:48873 cholinergic antagonist CHEBI:48873 A tartaric acid anion that is the conjugate base of 2,3-dihydroxybutanedioic acid. Beilstein:3905887 Reaxys:3905887 3-carboxy-2,3-dihydroxypropanoate chebi_ontology 149.07890 C4H5O6 FEWJPZIEWOKRBE-UHFFFAOYSA-M InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1 OC(C(O)C([O-])=O)C(O)=O CHEBI:48929 3-carboxy-2,3-dihydroxypropanoate CHEBI:48929 A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle. Beilstein:773692 PMID:19138353 3-methylbutanoate isovalerate chebi_ontology 101.12376 3-methyl-n-butyrate 3-methylbutyrate C5H9O2 CC(C)CC([O-])=O GWYFCOCPABKNJV-UHFFFAOYSA-M InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 beta-methylbutyrate delphinate isopentanoate isopropylacetate isovalerianate CHEBI:48942 isovalerate CHEBI:48942 A bisbenzylisoquinoline alkaloid that has formula C38H42N2O6. CAS:518-34-3 KEGG:C09654 KNApSAcK:C00001919 KNApSAcK:C00025278 LINCS:LSM-6539 (+)-Tetrandrine chebi_ontology 622.751 C38H42N2O6 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 Tetrandrine WVTKBKWTSCPRNU-KYJUHHDHSA-N CHEBI:49 (+)-Tetrandrine CHEBI:49 A primary alcohol that is ethanol substituted by a phenyl group at position 2. CHEBI:44780 CHEBI:8096 Beilstein:1905732 CAS:60-12-8 DrugBank:DB02192 Gmelin:240469 HMDB:HMDB33944 KEGG:C05853 KEGG:D00192 KNApSAcK:C00002663 MetaCyc:CPD-7035 PDBeChem:PEL PMID:19517523 PMID:22690913 PMID:23385159 PMID:23836015 PMID:24423498 Reaxys:1905732 Wikipedia:Phenethyl_alcohol 2-Phenylethanol 2-phenylethanol chebi_ontology 122.16440 2-Hydroxyethylbenzene 2-PEA 2-PHENYL-ETHANOL Benzeneethanol Benzylmethanol C8H10O InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 OCCc1ccccc1 Phenethyl alcohol Phenylethyl alcohol WRMNZCZEMHIOCP-UHFFFAOYSA-N beta-PEA beta-Phenethyl alcohol beta-Phenylethanol beta-Phenylethyl alcohol CHEBI:49000 2-phenylethanol CHEBI:49000 A psoralen that has formula C14H14O4. Beilstein:200868 Beilstein:85846 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one chebi_ontology 246.25856 C14H14O4 CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1 FWYSBEAFFPBAQU-UHFFFAOYSA-N InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3 CHEBI:49080 marmesin CHEBI:49080 A marmesin that has formula C14H14O4. Beilstein:85845 CAS:495-32-9 KEGG:C09278 KNApSAcK:C00002485 (-)-Marmesin (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one chebi_ontology 246.25856 C14H14O4 FWYSBEAFFPBAQU-GFCCVEGCSA-N InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1 [H][C@@]1(Cc2cc3ccc(=O)oc3cc2O1)C(C)(C)O CHEBI:49083 (-)-marmesin CHEBI:49083 chebi_ontology drug metabolites CHEBI:49103 drug metabolite CHEBI:49103 A vomifoliol that has formula C13H20O3. Beilstein:7688381 PMID:21634415 (4S)-4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one chebi_ontology 224.29610 C13H20O3 CC(O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m1/s1 KPQMCAKZRXOZLB-ZKQKWALRSA-N CHEBI:49156 (6S)-vomifoliol CHEBI:49156 A (6R)-vomifoliol that has formula C13H20O3. Beilstein:2617867 (4R)-4-hydroxy-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one chebi_ontology 224.29610 C13H20O3 C[C@H](O)\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1 KPQMCAKZRXOZLB-BXQPDHIASA-N CHEBI:49160 (6R,9S)-vomifoliol CHEBI:49160 A vomifoliol that has formula C13H20O3. (4R)-4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one chebi_ontology 224.29610 C13H20O3 CC(O)\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m0/s1 KPQMCAKZRXOZLB-LWRBJFJMSA-N CHEBI:49161 (6R)-vomifoliol CHEBI:49161 A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. CHEBI:10020 CHEBI:49157 Beilstein:1877674 CAS:23526-45-6 KEGG:C01760 KNApSAcK:C00029834 MetaCyc:--6-HYDROXY-3-OXO-ALPHA-IONOL PMID:19336938 PMID:22364828 Reaxys:1877674 (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one (6S,9R)-vomifoliol chebi_ontology (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one (6S,9R)-6-Hydroxy-3-oxo-alpha-ionol (6S,9R)-6-hydroxy-3-oxo-alpha-ionol 224.29610 Blumenol A C13H20O3 C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1 KPQMCAKZRXOZLB-KOIHBYQTSA-N Vomifoliol CHEBI:49164 (6S,9R)-vomifoliol CHEBI:49164 A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. Beilstein:1366759 CAS:97-53-0 HMDB:HMDB05809 KEGG:C10453 KEGG:D04117 KNApSAcK:C00000619 LINCS:LSM-2720 MetaCyc:CPD-6481 PMID:11033063 PMID:11806158 PMID:14745850 PMID:15574415 PMID:18218839 PMID:20809147 PMID:22923067 PMID:23181601 PMID:23261812 PMID:23264268 PMID:2329164 PMID:23313798 PMID:23325490 PMID:23422484 PMID:23422489 PMID:23444040 PMID:23594212 PMID:23666640 PMID:23677922 PMID:23707945 PMID:23768603 PMID:23768604 PMID:23791894 PMID:23837051 PMID:23841789 PMID:23852671 PMID:8596779 PMID:9084914 Reaxys:1366759 Wikipedia:Eugenol 2-methoxy-4-(prop-2-en-1-yl)phenol Eugenol eugenol chebi_ontology 1,3,4-Eugenol 1-Hydroxy-2-methoxy-4-allylbenzene 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene 1-Hydroxy-2-methoxy-4-propenylbenzene 1-allyl-3-methoxy-4-hydroxybenzene 1-allyl-4-hydroxy-3-methoxybenzene 164.20110 2-Hydroxy-5-allylanisole 2-Methoxy-1-hydroxy-4-allylbenzene 2-Methoxy-4-(2-propen-1-yl)phenol 2-Methoxy-4-(2-propenyl)phenol 2-Methoxy-4-allylphenol 2-Methoxy-4-prop-2-enylphenol 2-methoxy-4-(2-propen-1-yl)phenol 4-Allyl-1-hydroxy-2-methoxybenzene 4-Allyl-2-methoxyphenol 4-Allylcatechol-2-methyl ether 4-Allylguaiacol 4-Hydroxy-3-methoxy-1-allylbenzene 4-allyl-2-methoxyphenol Allylguaiacol C10H12O2 COc1cc(CC=C)ccc1O Caryophyllic acid Eugenic acid InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 RRAFCDWBNXTKKO-UHFFFAOYSA-N p-Allylguaiacol p-Eugenol CHEBI:4917 eugenol CHEBI:4917 chebi_ontology diterpene lactones CHEBI:49193 diterpene lactone CHEBI:49193 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. chebi_ontology anti-ulcer agent anti-ulcer agents anti-ulcer drugs CHEBI:49201 anti-ulcer drug CHEBI:49201 A lignan that is 7,9':7',9-diepoxylignane substituted by hydroxy groups at positions 4 and 4' and methoxy groups at positions 3, 3', 5 and 5' respectively. 3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol chebi_ontology 4,4'-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol) 418.43704 C22H26O8 COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1 InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3 KOWMJRJXZMEZLD-UHFFFAOYSA-N S(8-8)S CHEBI:49211 syringaresinol CHEBI:49211 The (7beta,7'beta,8beta,8'beta)-stereoisomer of syringaresinol. Beilstein:6577407 PMID:20958014 PMID:21469695 PMID:21627109 Reaxys:6577407 (7beta,7'beta,8beta,8'beta)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol chebi_ontology 418.43704 C22H26O8 InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1 KOWMJRJXZMEZLD-WRMVBYCNSA-N [H][C@@]12CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)c(O)c(OC)c1 CHEBI:49212 (-)-syringaresinol CHEBI:49212 Wikipedia:Bisabolene chebi_ontology C15H24 CHEBI:49235 bisabolene CHEBI:49235 A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4. Beilstein:2044624 HMDB:HMDB35992 PMID:22164802 PMID:23678435 PMID:23833899 Reaxys:2044624 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene bisabola-4,7(11),10(15)-triene chebi_ontology 204.35106 C15H24 CC(C)=CCCC(=C)C1CCC(C)=CC1 InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3 XZRVRYFILCSYSP-UHFFFAOYSA-N beta-Bisabolen CHEBI:49249 beta-bisabolene CHEBI:49249 chebi_ontology C15H24 Humulen CHEBI:49289 humulene CHEBI:49289 CHEBI:19626 CHEBI:35967 chebi_ontology 2-hydroxy acid 2-hydroxy monocarboxylic acids CHEBI:49302 2-hydroxy monocarboxylic acid CHEBI:49302 A molybdenum cation that has formula 95.94000. CHEBI:30509 CHEBI:49409 CAS:21175-08-6 Gmelin:54125 PDBeChem:4MO molybdenum(4+) molybdenum(4+) ion molybdenum(IV) cation chebi_ontology 95.94000 InChI=1S/Mo/q+4 MOLYBDENUM(IV) ION Mo Mo(4+) Molybdenum, ion (Mo4+) ZIKKVZAYJJZBGE-UHFFFAOYSA-N [Mo+4] CHEBI:49414 molybdenum(4+) CHEBI:49414 A silver cation that has formula Ag. CHEBI:30051 CHEBI:49467 CAS:14701-21-4 Gmelin:15176 PDBeChem:AG silver(1+) silver(1+) ion silver(I) cation chebi_ontology 107.86820 Ag Ag(+) FOIXSVOLVBLSDH-UHFFFAOYSA-N InChI=1S/Ag/q+1 SILVER ION Silver ion (1+) [Ag+] CHEBI:49468 silver(1+) CHEBI:49468 A s-block element atom that has formula 1.00794. CHEBI:24634 CHEBI:49636 WebElements:H hydrogen chebi_ontology 1.00794 1H H InChI=1S/H Wasserstoff YZCKVEUIGOORGS-UHFFFAOYSA-N [H] hidrogeno hydrogen hydrogene CHEBI:49637 hydrogen atom CHEBI:49637 A piperidine that has formula C6H13NO3. CAS:53185-12-9 KEGG:C10144 KNApSAcK:C00002038 Fagomine chebi_ontology 147.173 C6H13NO3 InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1 OC[C@H]1NCC[C@@H](O)[C@@H]1O YZNNBIPIQWYLDM-HSUXUTPPSA-N CHEBI:4969 Fagomine CHEBI:4969 An ion of nickel carrying a double positive charge. CHEBI:25517 CHEBI:49785 CAS:14701-22-5 Gmelin:6859 PDBeChem:NI PMID:20456924 nickel(2+) nickel(2+) ion nickel(II) cation chebi_ontology 58.69340 InChI=1S/Ni/q+2 NICKEL (II) ION Ni Ni(2+) Ni2+ Nickel, ion (Ni2+) VEQPNABPJHWNSG-UHFFFAOYSA-N [Ni++] nickelous ion CHEBI:49786 nickel(2+) CHEBI:49786 A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with methanol. CHEBI:13635 CHEBI:24023 KEGG:C03395 MetaCyc:Fatty-acid-methyl-esters Wikipedia:Fatty_acid_methyl_ester Fatty acid methyl ester chebi_ontology C2H3O2R COC([*])=O FAME a fatty acid methyl ester fatty acid methyl esters CHEBI:4986 fatty acid methyl ester CHEBI:4986 A member of the class of flavones having one or more glycosyl residues attached at unspecified positions. glycosyloxyflavone chebi_ontology flavone glycoside flavone glycosides glycosyloxyflavones CHEBI:50018 glycosyloxyflavone CHEBI:50018 An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. CHEBI:10438 CHEBI:22853 CAS:127-91-3 HMDB:HMDB36560 KEGG:C09882 KNApSAcK:C00000816 LIPID_MAPS_instance:LMPR0102120018 MetaCyc:CPD-3221 PMID:23472478 PMID:23513734 PMID:23738469 PMID:24555296 Reaxys:1362266 Wikipedia:Beta-pinene 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane beta-Pinene pin-2(10)-ene chebi_ontology 136.23404 2(10)-pinene 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane C10H16 CC1(C)C2CCC(=C)C1C2 InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 WTARULDDTDQWMU-UHFFFAOYSA-N nopinene pseudopinene CHEBI:50025 beta-pinene CHEBI:50025 A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. Beilstein:2038283 CAS:3387-41-5 KEGG:C16777 MetaCyc:CPD-4893 PMID:24493662 PMID:24512040 PMID:24520907 Reaxys:2038283 Wikipedia:Sabinene 4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane thuj-4(10)-ene chebi_ontology 1-isopropyl-4-methylenebicyclo[3.1.0]hexane 136.23400 4(10)-thujene 4-methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane C10H16 CC(C)C12CC1C(=C)CC2 InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3 NDVASEGYNIMXJL-UHFFFAOYSA-N Sabinen CHEBI:50027 sabinene CHEBI:50027 A monoterpene based on a thujane skeleton. chebi_ontology C10H16 Thujen CHEBI:50030 thujene CHEBI:50030 Wikipedia:Phellandrene chebi_ontology C10H16 Phellandren CHEBI:50034 phellandrene CHEBI:50034 A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups. chebi_ontology organic amino compounds CHEBI:50047 organic amino compound CHEBI:50047 A monoterpene that consists of an unsaturated p-menthane skeleton having two double bonds. chebi_ontology C10H16 CHEBI:50073 p-menthadiene CHEBI:50073 An agent that binds to and activates excitatory amino acid receptors. chebi_ontology excitatory amino acid agonists excitatory amino acid receptor agonist excitatory amino acid receptor agonists CHEBI:50103 excitatory amino acid agonist CHEBI:50103 Any hormone that is responsible for controlling sexual characteristics and reproductive function. chebi_ontology Geschlechtshormon Geschlechtshormone Sexualhormon Sexualhormone hormone sexuelle hormones sexuelles sex hormones CHEBI:50112 sex hormone CHEBI:50112 A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. Wikipedia:Estrogen chebi_ontology Estrogene Oestrogen Oestrogene estrogene estrogenes estrogenes Hormon estrogeno estrogenos estrogens oestrogen oestrogene oestrogenes oestrogens CHEBI:50114 estrogen CHEBI:50114 A flavonoid oligomer that is obtained by the oxidative coupling of at least two units of aryl-substituted benzopyran rings or its substituted derivatives, resulting in the two ring systems being joined together by a single atom or bond. Wikipedia:Biflavonoid chebi_ontology biflavonoids diflavonoid diflavonoids CHEBI:50128 biflavonoid CHEBI:50128 A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases. chebi_ontology desquamating agent keratolytic agent keratolytic drugs skin-peeling agent CHEBI:50176 keratolytic drug CHEBI:50176 A drug used to treat or prevent skin disorders or for the routine care of skin. chebi_ontology dermatologic agent dermatologic drugs dermatological agent CHEBI:50177 dermatologic drug CHEBI:50177 An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. chebi_ontology CYP2D6 inhbitor CYP2D6 inhbitors P450 inhibitors cytochrome P450 inhibitor cytochrome P450 inhibitors CHEBI:50183 P450 inhibitor CHEBI:50183 A substance that can be converted into a vitamin by animal tissues. Wikipedia:Provitamin chebi_ontology provitamins CHEBI:50188 provitamin CHEBI:50188 dihydroxybenzaldehyde chebi_ontology C7H6O3 CHEBI:50196 dihydroxybenzaldehyde CHEBI:50196 The (R)-enantiomer of naringenin. Beilstein:90700 MetaCyc:CPD-14042 Reaxys:90700 (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (2R)-naringenin 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone 272.25278 C15H12O5 FTVWIRXFELQLPI-CYBMUJFWSA-N InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1 Oc1ccc(cc1)[C@H]1CC(=O)c2c(O)cc(O)cc2O1 CHEBI:50201 (R)-naringenin CHEBI:50201 A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'. Beilstein:280888 LINCS:LSM-1927 MetaCyc:Naringenin 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology 272.25278 C15H12O5 FTVWIRXFELQLPI-UHFFFAOYSA-N InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 CHEBI:50202 naringenin CHEBI:50202 A dihydroxybenzaldehyde that has formula C7H6O3. Beilstein:774381 CAS:139-85-5 Gmelin:123001 KEGG:C16700 KNApSAcK:C00018099 3,4-dihydroxybenzaldehyde chebi_ontology 1,2-dihydroxy-4-formylbenzene 138.12074 3,4-dihydroxybenzenecarbonal 4-formyl-1,2-benzenediol 4-formyl-1,2-dihydroxybenzene C7H6O3 IBGBGRVKPALMCQ-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H Protocatechualdehyde [H]C(=O)c1ccc(O)c(O)c1 protocatechualdehyde protocatechuic aldehyde CHEBI:50205 3,4-dihydroxybenzaldehyde CHEBI:50205 A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). CHEBI:15037 CHEBI:26538 LINCS:LSM-5317 MetaCyc:Retinols 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol retinol chebi_ontology 286.45160 C20H30O CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO FPIPGXGPPPQFEQ-UHFFFAOYSA-N InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3 CHEBI:50211 retinol CHEBI:50211 An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*). CHEBI:76774 chebi_ontology EC 3.1.4.* (phosphoric diester hydrolase) inhibitors phosphodiesterase inhibitor phosphodiesterase inhibitors phosphoric diester hydrolase (EC 3.1.4.*) inhibitor phosphoric diester hydrolase (EC 3.1.4.*) inhibitors phosphoric diester hydrolase inhibitor phosphoric diester hydrolase inhibitors CHEBI:50218 EC 3.1.4.* (phosphoric diester hydrolase) inhibitor CHEBI:50218 Any protective agent counteracting or neutralizing the action of poisons. chebi_ontology antidotes CHEBI:50247 antidote CHEBI:50247 Drug that acts on blood and blood-forming organs and those that affect the hemostatic system. chebi_ontology hematologic agents CHEBI:50248 hematologic agent CHEBI:50248 Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group. CHEBI:1154 CHEBI:19636 KEGG:C03668 2-Hydroxydicarboxylic acid chebi_ontology 2-hydroxydicarboxylic acids C3H4O5(CH2)n CHEBI:50263 2-hydroxydicarboxylic acid CHEBI:50263 A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. Wikipedia:Prodrug chebi_ontology Prodrugs CHEBI:50266 prodrug CHEBI:50266 Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. chebi_ontology chemoprotectant chemoprotectants chemoprotective agent chemoprotective agents protective agents CHEBI:50267 protective agent CHEBI:50267 A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. chebi_ontology GABA modulators CHEBI:50268 GABA modulator CHEBI:50268 secoiridoid glycoside chebi_ontology secoiridoid glycosides CHEBI:50274 secoiridoid glycoside CHEBI:50274 A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA. chebi_ontology DNA topoisomerase inhibitor DNA topoisomerase inhibitors EC 5.99.1.2 (DNA topoisomerase) inhibitors EC 5.99.1.2 (topoisomerase I) inhibitor EC 5.99.1.2 (topoisomerase I) inhibitors EC 5.99.1.2 inhibitor EC 5.99.1.2 inhibitors topoisomerase I (EC 5.99.1.2) inhibitor topoisomerase I (EC 5.99.1.2) inhibitors topoisomerase I inhibitor topoisomerase I inhibitors type I DNA topoisomerase inhibitor type I DNA topoisomerase inhibitors CHEBI:50276 EC 5.99.1.2 (DNA topoisomerase) inhibitor CHEBI:50276 onium compound onium compounds chebi_ontology onium compounds CHEBI:50312 onium compound CHEBI:50312 Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families. onium cations chebi_ontology onium cations onium ion onium ions CHEBI:50313 onium cation CHEBI:50313 A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid. chebi_ontology canonical amino-acid side-chain canonical amino-acid side-chains proteinogenic amino-acid side-chain proteinogenic amino-acid side-chain groups proteinogenic amino-acid side-chains CHEBI:50325 proteinogenic amino-acid side-chain group CHEBI:50325 sulfanylmethyl chebi_ontology -CH2-SH 47.10052 CH3S HS-CH2- cysteine side-chain CHEBI:50326 sulfanylmethyl group CHEBI:50326 2-carboxyethyl chebi_ontology 73.07060 C3H5O2 glutamic acid side-chain CHEBI:50329 2-carboxyethyl group CHEBI:50329 1H-imidazol-4-ylmethyl chebi_ontology 81.09598 C4H5N2 histidine side-chain CHEBI:50338 1H-imidazol-4-ylmethyl group CHEBI:50338 3-carbamimidamidopropyl chebi_ontology 100.14242 3-(carbamimidoylamino)propyl 3-guanidinopropyl C4H10N3 arginine side-chain CHEBI:50340 3-carbamimidamidopropyl group CHEBI:50340 1-hydroxyethyl chebi_ontology 45.06050 C2H5O threonine side-chain CHEBI:50341 1-hydroxyethyl group CHEBI:50341 Any steroid based on a cholestane skeleton and its derivatives. chebi_ontology cholestanoids CHEBI:50401 cholestanoid CHEBI:50401 chebi_ontology ergostanoids CHEBI:50403 ergostanoid CHEBI:50403 A role played by a molecular entity used to study the microscopic environment. chebi_ontology CHEBI:50406 probe CHEBI:50406 A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. chebi_ontology platelet aggregation inhibitors CHEBI:50427 platelet aggregation inhibitor CHEBI:50427 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. chebi_ontology aperient aperients laxante laxatives purgative purgatives CHEBI:50503 laxative CHEBI:50503 A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. CHEBI:22960 CHEBI:38121 Wikipedia:Butenolide furan-2-one chebi_ontology 2-furanone C4H4O2 butenolides CHEBI:50523 butenolide CHEBI:50523 A phenolate anion that is the conjugate base of catechol. Beilstein:3904355 Gmelin:142204 Reaxys:3904355 2-hydroxyphenolate chebi_ontology 109.10270 C6H5O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1 Oc1ccccc1[O-] YCIMNLLNPGFGHC-UHFFFAOYSA-M pyrocatechol monoanion CHEBI:50524 catecholate(1-) CHEBI:50524 An organic anion arising from deprotonation of the OH function of a phenol compound. chebi_ontology phenolate anions CHEBI:50525 phenolate anion CHEBI:50525 One of a class of monoterpenoids biosynthesized from isoprene and often intermediates in the biosynthesis of alkaloids. Iridoids usually consist of a cyclopentane ring fused to a six-membered oxygen heterocycle. Wikipedia:Iridoid iridoid monoterpenoid chebi_ontology iridoid monoterpenoids CHEBI:50563 iridoid monoterpenoid CHEBI:50563 Any aliphatic alcohol in which the carbon chain contains one or more olefinic bonds. chebi_ontology alkenyl alcohols hydroxyalkene hydroxyalkenes CHEBI:50582 alkenyl alcohol CHEBI:50582 An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position. CHEBI:22937 CHEBI:50581 chebi_ontology alkyl alcohols hydroxyalkane hydroxyalkanes CHEBI:50584 alkyl alcohol CHEBI:50584 A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. Wikipedia:Prostaglandin-endoperoxide_synthase_2 chebi_ontology COX-2 inhibitor COX-2 inhibitors PGHS-2 inhibitor PGHS-2 inhibitors cyclo-oxygenase 2 inhibitor cyclo-oxygenase 2 inhibitors cyclo-oxygenase-2 inhibitor cyclo-oxygenase-2 inhibitors cyclooxygenase 2 inhibitors cyclooxygenase-2 inhibitor cyclooxygenase-2 inhibitors prostaglandin H synthase-2 inhibitor prostaglandin H synthase-2 inhibitors prostaglandin-endoperoxide synthase 2 inhibitor prostaglandin-endoperoxide synthase 2 inhibitors CHEBI:50629 cyclooxygenase 2 inhibitor CHEBI:50629 A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. Wikipedia:PTGS1 chebi_ontology COX-1 inhibitor COX-1 inhibitors PTGS1 inhibitor PTGS1 inhibitors cyclo-oxygenase 1 inhibitor cyclo-oxygenase 1 inhibitors cyclooxygenase 1 inhibitors cyclooxygenase-1 inhibitor cyclooxygenase-1 inhibitors prostaglandin G/H synthase 1 inhibitor prostaglandin G/H synthase 1 inhibitors prostaglandin H2 synthase 1 inhibitor prostaglandin H2 synthase 1 inhibitors prostaglandin-endoperoxide synthase 1 inhibitor prostaglandin-endoperoxide synthase 1 inhibitors CHEBI:50630 cyclooxygenase 1 inhibitor CHEBI:50630 A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified. chebi_ontology cross-linking reagents CHEBI:50684 cross-linking reagent CHEBI:50684 A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues. CHEBI:25679 CHEBI:35319 CHEBI:7758 KEGG:C00930 Oligosaccharide oligosaccharides chebi_ontology O-glycosylglycoside O-glycosylglycosides an oligosaccharide oligosacarido oligosacaridos CHEBI:50699 oligosaccharide CHEBI:50699 A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. chebi_ontology Dietary Supplement Food Supplementation Nutritional supplement CHEBI:50733 nutraceutical CHEBI:50733 A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (topoisomerase II), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. CHEBI:50234 chebi_ontology DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors DNA topoisomerase (ATP-hydrolysing) inhibitor DNA topoisomerase (ATP-hydrolysing) inhibitors DNA topoisomerase II inhibitor DNA topoisomerase II inhibitors EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors EC 5.99.1.3 inhibitor EC 5.99.1.3 inhibitors inhibitor of type II topoisomerase inhibitors of type II topoisomerase topoisomerase II inhibitor topoisomerase II inhibitors topoisomerase-II inhibitor topoisomerase-II inhibitors type II DNA topoisomerase inhibitor type II DNA topoisomerase inhibitors CHEBI:50750 EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor CHEBI:50750 Any 1-benzopyran with an aryl substituent at position 3. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. MetaCyc:Isoflavonoids Wikipedia:Isoflavonoid chebi_ontology 3-aryl-1-benzopyran 3-aryl-1-benzopyrans isoflavonoids CHEBI:50753 isoflavonoid CHEBI:50753 Biologically active substance whose activity affects or plays a role in the functioning of the immune system. Wikipedia:Immunotherapy chebi_ontology Biomodulator Immune factor Immunologic factor Immunological factor immunomodulators CHEBI:50846 immunomodulator CHEBI:50846 A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. Wikipedia:Immunologic_adjuvant chebi_ontology Immunoactivator Immunoadjuvant Immunologic adjuvant Immunopotentiator Immunostimulant CHEBI:50847 immunological adjuvant CHEBI:50847 Any carboxylic ester where the carboxylic acid component is 2-furoic acid. 2-furoate ester chebi_ontology furan-2-carboxylate ester furan-2-carboxylate esters CHEBI:50856 2-furoate ester CHEBI:50856 Any molecular entity that contains carbon. CHEBI:25700 CHEBI:33244 chebi_ontology organic compounds organic entity organic molecular entities CHEBI:50860 organic molecular entity CHEBI:50860 A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. Wikipedia:Genotoxicity chebi_ontology genotoxic agent genotoxic agents genotoxins CHEBI:50902 genotoxin CHEBI:50902 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. chebi_ontology agente carcinogeno cancerigene cancerogene carcinogen carcinogene carcinogenic agents carcinogeno carcinogens CHEBI:50903 carcinogenic agent CHEBI:50903 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Wikipedia:Allergen chebi_ontology alergeno allergene allergenic agent CHEBI:50904 allergen CHEBI:50904 A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. chebi_ontology agent teratogene teratogen teratogeno CHEBI:50905 teratogenic agent CHEBI:50905 A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. chebi_ontology agente hepatotoxico hepatotoxicant hepatoxic agent hepatoxicant CHEBI:50908 hepatotoxic agent CHEBI:50908 A poison that interferes with the functions of the nervous system. CHEBI:50911 Wikipedia:Neurotoxin chebi_ontology agente neurotoxico nerve poison nerve poisons neurotoxic agent neurotoxic agents neurotoxicant neurotoxins CHEBI:50910 neurotoxin CHEBI:50910 An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents. chebi_ontology CHEBI:50926 angiogenesis modulating agent CHEBI:50926 A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. chebi_ontology secondary amino compounds CHEBI:50995 secondary amino compound CHEBI:50995 A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups. chebi_ontology tertiary amino compounds CHEBI:50996 tertiary amino compound CHEBI:50996 A cyclic compound containing nine or more atoms as part of the cyclic system. Wikipedia:Macrocycle macrocycle chebi_ontology Makrocyclen Makrozyklen macrocycles makrocyclische Verbindungen makrozyklische Verbindungen CHEBI:51026 macrocycle CHEBI:51026 A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. chebi_ontology CHEBI:51060 hormone agonist CHEBI:51060 A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. chebi_ontology hormone receptor modulators CHEBI:51061 hormone receptor modulator CHEBI:51061 A role played by the molecular entity or part thereof within a chemical context. chebi_ontology CHEBI:51086 chemical role CHEBI:51086 chebi_ontology fluorescent dyes CHEBI:51121 fluorescent dye CHEBI:51121 CHEBI:25556 CHEBI:7594 KEGG:C06061 chebi_ontology Nitrogenous compounds nitrogen compounds nitrogen molecular entities CHEBI:51143 nitrogen molecular entity CHEBI:51143 An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case. chebi_ontology dipolar compounds CHEBI:51151 dipolar compound CHEBI:51151 Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. chebi_ontology CHEBI:51269 acenes CHEBI:51269 A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'. chebi_ontology 60.07500 COSR2 [*]C(=O)S[*] thio ester thioesters thiol ester CHEBI:51277 thioester CHEBI:51277 Quinones containing an acene fused ring system. acenoquinone chebi_ontology acenoquinones CHEBI:51285 acenoquinone CHEBI:51285 A diester is a compound containing two ester groups. diester chebi_ontology diesters CHEBI:51307 diester CHEBI:51307 A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems. chebi_ontology CHEBI:51374 GABA agent CHEBI:51374 Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s). chebi_ontology organodiyl groups CHEBI:51422 organodiyl group CHEBI:51422 chebi_ontology CHEBI:51446 organic divalent group CHEBI:51446 chebi_ontology organic monovalent group CHEBI:51447 organic univalent group CHEBI:51447 Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives. chebi_ontology dimethoxybenzenes CHEBI:51681 dimethoxybenzene CHEBI:51681 Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups. chebi_ontology methoxybenzenes CHEBI:51683 methoxybenzene CHEBI:51683 An alpha,beta-unsaturated aldehyde of general formula R(1)R(2)C=CR(3)-CH=O in which the aldehydic C=O function is conjugated to a C=C double bond at the alpha,beta position. chebi_ontology 53.03940 C3HOR3 [H]C(=O)C(\[*])=C(/[*])[*] enals CHEBI:51688 enal CHEBI:51688 An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position. Wikipedia:Enone chebi_ontology 52.03150 C3OR4 [*]\C([*])=C(\[*])C([*])=O enones CHEBI:51689 enone CHEBI:51689 An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. chebi_ontology 68.03090 C3O2R4 [*]\C([*])=C(\[*])C(=O)O[*] enoate enoate esters enoates CHEBI:51702 enoate ester CHEBI:51702 A pentacyclic triterpenoid that is perhydropicene which is substituted by an oxo group at position 3 and by methyl groups at the 4, 4a, 6b, 8a, 11, 11, 12b, and 14a-positions (the 4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS-enantiomer). It is the major triterpenoid constituent of cork. CAS:559-74-0 KEGG:C08626 KNApSAcK:C00003747 MetaCyc:CPD-13047 PMID:17639555 PMID:20610397 PMID:20675291 PMID:21718291 Patent:WO2009072916 (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2H)-one friedelin chebi_ontology (-)-friedelin 426.71740 C30H50O D:A-friedooleanan-3-one InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 OFMXGFHWLZPCFL-SVRPQWSVSA-N [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C friedelan-3-one friedeline CHEBI:5171 friedelin CHEBI:5171 An aldehyde of general formula R(1)R(2)C=CR(3)-CH=O or RC#C-CH=O in which the aldehydic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated aldehydes CHEBI:51718 alpha,beta-unsaturated aldehyde CHEBI:51718 A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated ketones CHEBI:51721 alpha,beta-unsaturated ketone CHEBI:51721 A carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) or R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated carboxylic esters CHEBI:51737 alpha,beta-unsaturated carboxylic ester CHEBI:51737 A monocarboxylic amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) or R(1)C#C-C(=O)NR(2)R(3) in which the amide C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated amide alpha,beta-unsaturated carboxamide alpha,beta-unsaturated monocarboxylic acid amide alpha,beta-unsaturated monocarboxylic acid amides CHEBI:51750 alpha,beta-unsaturated carboxylic acid amide CHEBI:51750 An alpha,beta-unsaturated carboxylic acid amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) in which the amide C=O function is conjugated to a C=C double bond at the alpha,beta position. chebi_ontology 66.03820 C3NOR5 [*]\C([*])=C(\[*])C(=O)N([*])[*] enamides CHEBI:51751 enamide CHEBI:51751 chebi_ontology organic heterohexacyclic compounds CHEBI:51914 organic heterohexacyclic compound CHEBI:51914 An seven carbon-enal containing one extra C=C double bond, which may or may not be conjugated with the aldehydic C=O and alpha,beta-double bond systems. chebi_ontology heptadienals CHEBI:51921 heptadienal CHEBI:51921 chebi_ontology organic polycyclic compounds CHEBI:51958 organic polycyclic compound CHEBI:51958 chebi_ontology organic tricyclic compounds CHEBI:51959 organic tricyclic compound CHEBI:51959 A monoterpenoid that has formula C21H22O5. CAS:28178-92-9 KEGG:C10574 KNApSAcK:C00002604 Futoquinol chebi_ontology 354.397 AOZTYYBGNNXAOI-NTEUORMPSA-N C21H22O5 COC1=CC(=O)C(CC=C)=CC1(OC)C(\C)=C\c1ccc2OCOc2c1 InChI=1S/C21H22O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-12H,1,6,13H2,2-4H3/b14-9+ CHEBI:5203 Futoquinol CHEBI:5203 A furanocoumarin which bears a hydroxy group at position 5. chebi_ontology 197.12320 5-hydroxyfuranocoumarin 5-hydroxyfuranocoumarins 5-hydroxyfurocoumarins C11HO4R5 a 5-hydroxyfurocoumarin an 5-hydroxyfurocoumarin CHEBI:52058 5-hydroxyfurocoumarin CHEBI:52058 An organic anion that is the conjugate base of methanol. Reaxys:1839368 chebi_ontology 31.03390 CH3O C[O-] InChI=1S/CH3O/c1-2/h1H3/q-1 NBTOZLQBSIZIKS-UHFFFAOYSA-N methoxide ion CHEBI:52090 methoxide CHEBI:52090 An organic anion that is the conjugate base of ethanol. Beilstein:1839415 Reaxys:1839415 chebi_ontology 45.06050 C2H5O CC[O-] HHFAWKCIHAUFRX-UHFFFAOYSA-N InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1 ethoxy anion CHEBI:52092 ethoxide CHEBI:52092 chebi_ontology CHEBI:52157 organic heteroheptacyclic compound CHEBI:52157 A biological role played by the molecular entity or part thereof within a biochemical context. chebi_ontology CHEBI:52206 biochemical role CHEBI:52206 chebi_ontology CHEBI:52208 biophysical role CHEBI:52208 A role played by the molecular entity or part thereof which causes the development of a pathological process. chebi_ontology etiopathogenetic agent etiopathogenetic role CHEBI:52209 aetiopathogenetic role CHEBI:52209 A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties. chebi_ontology CHEBI:52210 pharmacological role CHEBI:52210 chebi_ontology CHEBI:52211 physiological role CHEBI:52211 Any molecule or ion capable of binding to a central metal atom to form coordination complexes. Wikipedia:Ligand chebi_ontology ligands CHEBI:52214 ligand CHEBI:52214 Any substance introduced into a living organism with therapeutic or diagnostic purpose. CHEBI:33293 CHEBI:33294 chebi_ontology farmaco medicament pharmaceuticals CHEBI:52217 pharmaceutical CHEBI:52217 Any flavonol carrying a 7-hydroxy substituent. chebi_ontology 250.20570 7-hydroxy-flavonols C15H6O4R4 Oc1cc([*])c2c(c1)oc(-c1cc([*])c([*])c([*])c1)c(O)c2=O CHEBI:52267 7-hydroxyflavonol CHEBI:52267 An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of sterol methyltransferase. chebi_ontology CHEBI:52303 sterol methyltransferase inhibitor CHEBI:52303 An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*). CHEBI:76776 chebi_ontology EC 3.2.1.* (glycosidase) inhibitors EC 3.2.1.* inhibitor EC 3.2.1.* inhibitors glycosidase (EC 3.2.1.*) inhibitor glycosidase (EC 3.2.1.*) inhibitors glycosidase inhibitor glycosidase inhibitors glycoside hydrolase inhibitors CHEBI:52424 EC 3.2.1.* (glycosidase) inhibitor CHEBI:52424 A glycolipid and which the glyco component is specified as galactosyl. chebi_ontology a galactolipid CHEBI:5254 galactolipid CHEBI:5254 A diterpenoid with a tetracyclic skeleton. chebi_ontology tetracyclic diterpenoids CHEBI:52557 tetracyclic diterpenoid CHEBI:52557 CHEBI:1111 CHEBI:13592 KEGG:C02929 chebi_ontology 2-Hydroxy carboxylate 75.04340 C2H3O3R OC([*])C(O)=O a 2-hydroxy carboxylic acid CHEBI:52618 2-hydroxy carboxylic acid CHEBI:52618 An inhibitor of ribonuclease H (EC 3.1.26.13), an enzyme required for specific hydrolysis of the RNA strand of an RNA/DNA hybrid. Wikipedia:Retroviral_ribonuclease_H chebi_ontology EC 3.1.26.13 (retroviral ribonuclease H) inhibitors EC 3.1.26.13 inhibitor EC 3.1.26.13 inhibitors HIV RNase H inhibitor HIV RNase H inhibitors HIV-1 RNase H inhibitor HIV-1 RNase H inhibitors HIV-1 ribonuclease H inhibitor HIV-1 ribonuclease H inhibitors RT/RNase H inhibitor RT/RNase H inhibitors retroviral reverse transcriptase RNaseH inhibitor retroviral reverse transcriptase RNaseH inhibitors retroviral ribonuclease H (EC 3.1.26.13) inhibitor retroviral ribonuclease H (EC 3.1.26.13) inhibitors retroviral ribonuclease H inhibitor CHEBI:52629 EC 3.1.26.13 (retroviral ribonuclease H) inhibitor CHEBI:52629 An organic group that consists of a closed ring. It may be a substituent or a skeleton. chebi_ontology cyclic organic groups CHEBI:52845 cyclic organic group CHEBI:52845 A cyclic macromolecule containing one or more nitrogen atoms in place of carbon either as the divalent group NH for the group CH2 or a single trivalent nitrogen atom for the group CH. chebi_ontology aza macrocycle aza macrocyclic compound aza-macrocycle azamacrocycles CHEBI:52898 azamacrocycle CHEBI:52898 The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. chebi_ontology antigenic determinant epitope function epitope role CHEBI:53000 epitope CHEBI:53000 A polymer carrying multiple negative charges. chebi_ontology polyanion polyanions CHEBI:53309 polyanionic macromolecule CHEBI:53309 Any fatty acid containing at least one C=C double bond. PMID:832335 chebi_ontology CHEBI:53339 olefinic fatty acid CHEBI:53339 A macromolecule containing ionic groups. chebi_ontology ionic polymer polyionic macromolecule CHEBI:53368 ionic macromolecule CHEBI:53368 A diterpenoid compound having a kaurane skeleton. chebi_ontology kaurane diterpenoids CHEBI:53666 kaurane diterpenoid CHEBI:53666 An entity which inhibits the activity of HIV-1 reverse transcriptase. chebi_ontology HIV-1 reverse transcriptase inhibitors reverse transcriptase inhibitor reverse transcriptase inhibitors CHEBI:53756 HIV-1 reverse transcriptase inhibitor CHEBI:53756 Any drug found useful in the symptomatic treatment of diarrhoea. chebi_ontology antidiarrheal antidiarrheal agent antidiarrheal agents antidiarrheal drug antidiarrheal drugs antidiarrheals antidiarrhoeal antidiarrhoeal agent antidiarrhoeal agents antidiarrhoeal drugs antidiarrhoeals antiperistaltic antiperistaltic agent antiperistaltic agents antiperistaltic drug antiperistaltic drugs antiperistaltics CHEBI:55323 antidiarrhoeal drug CHEBI:55323 A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. chebi_ontology gastrointestinal agent gastrointestinal agents gastrointestinal drugs CHEBI:55324 gastrointestinal drug CHEBI:55324 A hydroxyisoflavone compound having a hydroxy group at the 7-position. MetaCyc:7-hydroxyisoflavones chebi_ontology CHEBI:55465 7-hydroxyisoflavones CHEBI:55465 A compound having the general formula RR'C(OH)OR'' (R'' =/= H). Hemiacetal hemiacetals chebi_ontology 46.025 CH2O2R2 hemiacetals CHEBI:5653 hemiacetal CHEBI:5653 A cyclic compound having as ring members atoms of at least two different elements. Heterocyclic compound chebi_ontology compuesto heterociclico compuestos heterociclicos heterocycle heterocyclic compounds CHEBI:5686 heterocyclic compound CHEBI:5686 Tetraanion of coenzyme A. Beilstein:11604429 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate} chebi_ontology 763.50200 C21H32N7O16P3S CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CoA InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1 RGJOEKWQDUBAIZ-IBOSZNHHSA-J CHEBI:57287 coenzyme A(4-) CHEBI:57287 An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine. Gmelin:1807 MetaCyc:GLY 2-azaniumylacetate chebi_ontology 75.06660 C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) [NH3+]CC([O-])=O glycine CHEBI:57305 glycine zwitterion CHEBI:57305 An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of any 3-oxo-fatty acyl-CoA. MetaCyc:3-KETOACYL-COA chebi_ontology 3-ketoacyl-CoA 3-ketoacyl-coenzyme A 3-oxo-fatty acyl-CoA 3-oxoacyl-coenzyme A C24H33N7O18P3SR CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([*])=O CHEBI:57347 3-oxo-fatty acyl-CoA(4-) CHEBI:57347 A flavonoid oxoanion that is the conjugate base of luteolin, arising from selective deprotonation of the 7-hydroxy group. MetaCyc:5734-TETRAHYDROXYFLAVONE 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate chebi_ontology 285.22840 C15H9O6 IQPNAANSBPBGFQ-UHFFFAOYSA-M InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H/p-1 Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc([O-])cc2o1 luteolin luteolin-7-olate anion CHEBI:57545 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) CHEBI:57545 A fatty acid anion with a chain length of C13 or greater. CHEBI:13652 chebi_ontology CO2R [O-]C([*])=O a long-chain carboxylate a long-chain fatty acid long-chain fatty acid anions CHEBI:57560 long-chain fatty acid anion CHEBI:57560 A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. CHEBI:23144 Beilstein:6097142 (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate chebi_ontology 353.30080 C16H17O9 CWVRJTMFETXNAD-JUHZACGLSA-M InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+/t11-,12-,14-,16+/m1/s1 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C([O-])=O chlorogenate anion CHEBI:57644 chlorogenate CHEBI:57644 Conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate chebi_ontology 301.22830 C15H9O7 InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1 Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1O REFJWTPEDVJJIY-UHFFFAOYSA-M quercetin quercetin anion CHEBI:57694 quercetin-7-olate CHEBI:57694 A D-alpha-amino acid zwitterion that is D-threonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. (2R,3S)-2-azaniumyl-3-hydroxybutanoate chebi_ontology 119.11920 AYFVYJQAPQTCCC-STHAYSLISA-N C4H9NO3 C[C@H](O)[C@@H]([NH3+])C([O-])=O D-threonine InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1 CHEBI:57757 D-threonine zwitterion CHEBI:57757 The conjugate base of trans-caffeic acid; major species at pH 7.3. Beilstein:8986917 Gmelin:1824843 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate trans-caffeate chebi_ontology (2E)-3-(3,4-dihydroxyphenyl)acrylate 179.14950 3,4-dihydroxy-trans-cinnamate C9H7O4 InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2+ Oc1ccc(\C=C\C([O-])=O)cc1O QAIPRVGONGVQAS-DUXPYHPUSA-M trans-caffeate anion trans-caffeate(1-) CHEBI:57770 trans-caffeate CHEBI:57770 An ammonium ion that is the trication of spermidine, formed by protonation at all three nitrogens. MetaCyc:SPERMIDINE (4-azaniumylbutyl)(3-azaniumylpropyl)azanium chebi_ontology 148.26970 ATHGHQPFGPMSJY-UHFFFAOYSA-Q C7H22N3 InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3 N-(3-ammoniopropyl)butane-1,4-diaminium [NH3+]CCCC[NH2+]CCC[NH3+] spermidine CHEBI:57834 spermidine(3+) CHEBI:57834 The conjugate base of a nucleoside 5'-phosphate. chebi_ontology 194.07920 C5H7O6PR2 O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP([O-])([O-])=O a nucleoside 5'-phosphate nucleoside 5'-phosphate dianions CHEBI:57867 nucleoside 5'-phosphate dianion CHEBI:57867 An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3. Gmelin:533978 2-(1H-indol-3-yl)ethanaminium chebi_ontology 161.22310 APJYDQYYACXCRM-UHFFFAOYSA-O C10H13N2 InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1 [NH3+]CCc1c[nH]c2ccccc12 tryptamine tryptaminium cation tryptaminium(1+) CHEBI:57887 tryptaminium CHEBI:57887 Zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Gmelin:2506280 (2S,3R)-2-azaniumyl-3-hydroxybutanoate chebi_ontology (2S,3R)-2-ammonio-3-hydroxybutanoate 119.11920 AYFVYJQAPQTCCC-GBXIJSLDSA-N C4H9NO3 C[C@@H](O)[C@H]([NH3+])C([O-])=O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 L-threonine CHEBI:57926 L-threonine zwitterion CHEBI:57926 Trianion of nucleoside diiphosphate arising from deprotonation of all three free OH groups of the diphosphate; major species at pH 7.3. chebi_ontology 305.09310 C5H8O10P2R C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O NDP trianion NDP(3-) a ribonucleoside 5'-diphosphate nucleoside diphosphate trianion ribonucleoside diphosphate trianion ribonucleoside diphosphate(3-) CHEBI:57930 nucleoside diphosphate(3-) CHEBI:57930 The dianion of a nucleoside monophosphate: major species at pH 7.3. CHEBI:85513 chebi_ontology 211.08660 5'-ribonucleotide(2-) C5H8O7P C5H8O7PR O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1[*] a ribonucleoside 5'-phosphate nucleoside monophosphate anion nucleoside monophosphate anions nucleoside monophosphate dianion nucleoside monophosphate dianions CHEBI:58043 nucleoside 5'-monophosphate(2-) CHEBI:58043 The conjugate acid of salutaridine; major species at pH 7.3. 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium-7-one chebi_ontology 328.38230 C19H22NO4 COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O GVTRUVGBZQJVTF-YJYMSZOUSA-O InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/p+1/t13-,19+/m1/s1 salutaridine salutaridine cation salutaridine(1+) salutaridinium cation CHEBI:58061 salutaridinium(1+) CHEBI:58061 Conjugate base of quercitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. MetaCyc:QUERCITRIN 3-[(alpha-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate chebi_ontology 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate 447.36900 C21H19O11 C[C@@H]1O[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/p-1/t7-,15-,17+,18+,21-/m0/s1 OXGUCUVFOIWWQJ-HQBVPOQASA-M quercitrin quercitrin-7-olate anion quercitrin-7-olate(1-) CHEBI:58192 quercitrin-7-olate CHEBI:58192 A flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. MetaCyc:NARINGENIN-CMPD (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-olate chebi_ontology (S)-naringenin anion 271.24480 C15H11O5 FTVWIRXFELQLPI-ZDUSSCGKSA-M InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/p-1/t13-/m0/s1 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 CHEBI:58292 (S)-naringenin(1-) CHEBI:58292 A diterpenoid that has formula C33H45NO10. CAS:6900-87-4 KEGG:C08688 KNApSAcK:C00001644 Hypaconitine chebi_ontology 615.712 C33H45NO10 COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]13)C4N(C)C2)[C@@H](O)[C@@H]6OC FIDOCHXHMJHKRW-VHQVDBNASA-N InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1 CHEBI:5831 Hypaconitine CHEBI:5831 A flavonoid oxoanion that is the conjugate base of isoorientin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol chebi_ontology 447.36900 C21H19O11 InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c([O-])cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 ODBRNZZJSYPIDI-VJXVFPJBSA-M isoorientin 7-olate isoorientin anion CHEBI:58333 isoorientin(1-) CHEBI:58333 An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of any acyl-CoA; major species at pH 7.3. chebi_ontology 790.50500 C22H31N7O17P3SR CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O an acyl-CoA CHEBI:58342 acyl-CoA(4-) CHEBI:58342 An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen. 2-(1H-imidazol-4-yl)ethanaminium chebi_ontology 112.15300 C5H10N3 InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1 NTYJJOPFIAHURM-UHFFFAOYSA-O [NH3+]CCc1c[nH]cn1 histamine histaminium cation CHEBI:58432 histaminium CHEBI:58432 The 7-oxoanion of isovitexin. MetaCyc:ISOVITEXIN (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol chebi_ontology 431.36960 C21H19O10 InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/p-1/t14-,17-,19+,20-,21+/m1/s1 MYXNWGACZJSMBT-VJXVFPJBSA-M OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c([O-])cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 CHEBI:58447 isovitexin-7-olate CHEBI:58447 The 7-oxoanion of apigenin Beilstein:6979399 MetaCyc:CPD-431 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate chebi_ontology 269.22900 C15H9O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H/p-1 KZNIFHPLKGYRTM-UHFFFAOYSA-M Oc1ccc(cc1)-c1cc(=O)c2c(O)cc([O-])cc2o1 apigenin CHEBI:58470 apigenin-7-olate CHEBI:58470 The 3-oxoanion of kaempferol. 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate chebi_ontology 285.22840 C15H9O6 IYRMWMYZSQPJKC-UHFFFAOYSA-M InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H/p-1 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1[O-] kaempferol CHEBI:58573 kaempferol oxoanion CHEBI:58573 The conjugate base of a flavonol compound. MetaCyc:Flavonols chebi_ontology 232.19050 C15H4O3R5 [O-]c1c(oc2cc([*])cc([*])c2c1=O)-c1cc([*])c([*])c([*])c1 a flavonol oxoanion flavonolate CHEBI:58588 flavonol oxoanion CHEBI:58588 The conjugate base of a 2-hydroxy carboxylic acid. chebi_ontology 74.03550 C2H2O3R OC([*])C([O-])=O CHEBI:58896 2-hydroxy carboxylate CHEBI:58896 An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated. chebi_ontology organophosphate oxoanions CHEBI:58945 organophosphate oxoanion CHEBI:58945 Any acyl coenzyme A thioester in which one or more of the phosphate and/or diphosphate groups has been deprotonated. chebi_ontology acyl-CoA oxoanions CHEBI:58946 acyl-CoA oxoanion CHEBI:58946 Any fatty acid anion with a chain length greater than C22. chebi_ontology CO2R [O-]C([*])=O a very long-chain fatty acid anion very long-chain fatty acid anions CHEBI:58950 very long-chain fatty acid anion CHEBI:58950 Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6). chebi_ontology CO2R [O-]C([*])=O a short-chain fatty acid short-chain fatty acid anions CHEBI:58951 short-chain fatty acid anion CHEBI:58951 Any fatty acid anion in which there is no C-C unsaturation. chebi_ontology a saturated fatty acid saturated fatty acid anions CHEBI:58953 saturated fatty acid anion CHEBI:58953 Any saturated fatty acid anion lacking a carbon side-chain. chebi_ontology straight-chain saturated fatty acid anions CHEBI:58954 straight-chain saturated fatty acid anion CHEBI:58954 Any fatty acid anion with a carbon side-chain or isopropyl termination. chebi_ontology a branched-chain fatty acid branched-chain fatty acid anions CHEBI:58955 branched-chain fatty acid anion CHEBI:58955 Any saturated fatty acid anion with a carbon side-chain or isopropyl termination. chebi_ontology branched-chain saturated fatty acid anions CHEBI:58956 branched-chain saturated fatty acid anion CHEBI:58956 A flavanone glycoside that is hesperitin having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. CHEBI:7504 Beilstein:1279600 CAS:13241-33-3 HMDB:HMDB30748 KEGG:C09806 KNApSAcK:C00000987 LIPID_MAPS_instance:LMPK12140452 MetaCyc:CPD-7074 PMID:18045389 PMID:21950163 PMID:22102373 PMID:23285810 Reaxys:1279600 (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside Neohesperidin chebi_ontology (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 610.56060 ARGKVCXINMKCAZ-UZRWAPQLSA-N C28H34O15 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O1 Hesperetin 7-O-neohesperidoside InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 CHEBI:59016 neohesperidin CHEBI:59016 A substance used as an indicator of a biological state. chebi_ontology biological marker CHEBI:59163 biomarker CHEBI:59163 Any fatty acid whose skeletal carbon atoms form an unbranched open chain. chebi_ontology straight-chain fatty acids CHEBI:59202 straight-chain fatty acid CHEBI:59202 A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid. chebi_ontology straight-chain FA anion straight-chain FA anions straight-chain fatty acid anions CHEBI:59203 straight-chain fatty acid anion CHEBI:59203 Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement. PMID:1745654 PMID:19034351 PMID:7609665 chebi_ontology EFA EFAs EFS acides gras indispensables acidos grasos esenciales essential fatty acids essentielle Fettsaeuren CHEBI:59549 essential fatty acid CHEBI:59549 Any fatty acid with a chain length of between C6 and C12. chebi_ontology 45.01740 CHO2R MCFA MCFAs OC([*])=O medium-chain fatty acids CHEBI:59554 medium-chain fatty acid CHEBI:59554 A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid. chebi_ontology CO2R MCFA anion MCFA anions [O-]C([*])=O a medium chain fatty acid medium-chain FA anion medium-chain FA anions medium-chain fatty acid anions CHEBI:59558 medium-chain fatty acid anion CHEBI:59558 Compounds containing one or more phosphoric acid units. chebi_ontology CHEBI:59698 phosphoric acids CHEBI:59698 A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons. chebi_ontology nucleophile nucleophiles nucleophilic reagents CHEBI:59740 nucleophilic reagent CHEBI:59740 An aldehyde derived from an aliphatic compound chebi_ontology aliphatic aldehydes CHEBI:59768 aliphatic aldehyde CHEBI:59768 An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ. chebi_ontology acetals CHEBI:59769 acetal CHEBI:59769 An acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring. chebi_ontology cyclic acetals CHEBI:59770 cyclic acetal CHEBI:59770 Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group. chebi_ontology 88.08520 C2H3NO2R C[C@H](N)C([O-])=O L-alpha-amino carboxylate CHEBI:59814 L-alpha-amino acid anion CHEBI:59814 The conjugate base of any hydroxy fatty acid, formed by deprotonation of the carboxylic acid moiety. chebi_ontology OH-FA anion OH-FA-anions OH-fatty acid anion OH-fatty acid anions hydroxy fatty acid anions CHEBI:59835 hydroxy fatty acid anion CHEBI:59835 Any fatty acid with a hydroxy functional group in the beta- or 3-position. beta-Hydroxy fatty acids accumulate during cardiac hypoxia, and can also be used as chemical markers of bacterial endotoxins. PMID:1226425 PMID:17392575 PMID:3094448 PMID:7406063 chebi_ontology 3-OH fatty acid 3-OH fatty acids 3-hydroxy fatty acids 89.07000 C3H5O3R OC([*])CC(O)=O beta-OH fatty acid beta-OH fatty acids beta-hydroxy fatty acid beta-hydroxy fatty acids CHEBI:59845 3-hydroxy fatty acid CHEBI:59845 Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group. chebi_ontology C2H4NO2R L-alpha-amino acid zwitterions [NH3+][C@@H]([*])C([O-])=O an L-amino acid CHEBI:59869 L-alpha-amino acid zwitterion CHEBI:59869 Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group. chebi_ontology C2H4NO2R D-alpha-amino acid zwitterions [NH3+][C@H]([*])C([O-])=O a D-amino acid CHEBI:59871 D-alpha-amino acid zwitterion CHEBI:59871 Zwitterionic form of gamma-aminobutyric acid having an anionic carboxy group and a protonated amino group. Gmelin:1041559 4-azaniumylbutanoate chebi_ontology 103.11980 4-aminobutanoate 4-ammoniobutanoate BTCSSZJGUNDROE-UHFFFAOYSA-N C4H9NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) [NH3+]CCCC([O-])=O CHEBI:59888 gamma-aminobutyric acid zwitterion CHEBI:59888 The angular furanocoumarin analogue of the linear furanocoumarin marmesin. Beilstein:200954 CAS:1147-29-1 8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one chebi_ontology (+-)-columbianetin 246.25860 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one C14H14O4 CC(C)(O)C1Cc2c(O1)ccc1ccc(=O)oc21 InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3 YRAQEMCYCSSHJG-UHFFFAOYSA-N CHEBI:59948 columbianetin CHEBI:59948 Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals. chebi_ontology EC 1.14.18.1 (tyrosinase) inhibitors EC 1.14.18.1 inhibitor EC 1.14.18.1 inhibitors L-tyrosine,L-dopa:oxygen oxidoreductase inhibitor L-tyrosine,L-dopa:oxygen oxidoreductase inhibitors NN-acetyl-6-hydroxytryptophan oxidase inhibitor NN-acetyl-6-hydroxytryptophan oxidase inhibitors O-diphenol:O2 oxidoreductase inhibitor O-diphenol:O2 oxidoreductase inhibitors cresolase inhibitor cresolase inhibitors monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitor monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitors monophenol monooxidase inhibitor monophenol monooxidase inhibitors monophenol monooxygenase inhibitor monophenol monooxygenase inhibitors monophenol oxidase inhibitor monophenol oxidase inhibitors monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitor monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitors monophenolase inhibitor monophenolase inhibitors phenol oxidase inhibitor phenol oxidase inhibitors phenolase inhibitor phenolase inhibitors tyrosinase (EC 1.14.18.1) inhibitor tyrosinase (EC 1.14.18.1) inhibitors tyrosinase inhibitor tyrosinase inhibitors tyrosine-dopa oxidase inhibitor tyrosine-dopa oxidase inhibitors CHEBI:59997 EC 1.14.18.1 (tyrosinase) inhibitor CHEBI:59997 A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types. chebi_ontology Chemische Substanz CHEBI:59999 chemical substance CHEBI:59999 A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind. chebi_ontology Mischung CHEBI:60004 mixture CHEBI:60004 A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.. Wikipedia:Polymer Polymer chebi_ontology Kunststoff CHEBI:60027 polymer CHEBI:60027 Any anion arising from deprotonation of at least one OH group in a flavonoid compound. chebi_ontology flavonoid oxoanions CHEBI:60038 flavonoid oxoanion CHEBI:60038 Conjugate base of a 7-hydroxyflavonol compound arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3. chebi_ontology 249.19780 C15H5O4R4 Oc1cc([*])c2c(c1)oc(-c1cc([*])c([*])c([*])c1)c([O-])c2=O a 7-O-hydroxy-flavonol CHEBI:60090 7-hydroxyflavon-3-olate CHEBI:60090 An ionic polymer is a polymer, composed of ionic macromolecules. chebi_ontology polyionic polymer CHEBI:60164 ionic polymer CHEBI:60164 A metal cation with a valence of two. chebi_ontology a divalent metal cation CHEBI:60240 divalent metal cation CHEBI:60240 An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one. chebi_ontology a monovalent cation CHEBI:60242 monovalent inorganic cation CHEBI:60242 A silver atom having a net electric charge. chebi_ontology CHEBI:60247 silver ion CHEBI:60247 A nickel atom having a net electric charge. chebi_ontology CHEBI:60248 nickel ion CHEBI:60248 chebi_ontology CHEBI:60253 silver cation CHEBI:60253 Any cation arising from protonation of at least one of the amino functions in an indole alkaloid. chebi_ontology indole alkaloid cations CHEBI:60521 indole alkaloid cation CHEBI:60521 CAS:652-67-5 KEGG:D00347 Isosorbide chebi_ontology C6H10O4 CHEBI:6060 Isosorbide CHEBI:6060 Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs. CHEBI:60797 chebi_ontology N-methyl-D-aspartate receptor antagonist N-methyl-D-aspartate receptor antagonists NMDA receptor antagonists NMDAR antagonist NMDAR antagonists CHEBI:60643 NMDA receptor antagonist CHEBI:60643 Any substance which inhibits the action of receptors for excitatory amino acids. chebi_ontology EAA receptor antagonist EAA receptor antagonists excitatory amino acid antagonists excitatory amino acid receptor antagonist excitatory amino acid receptor antagonists CHEBI:60798 excitatory amino acid antagonist CHEBI:60798 Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself. chebi_ontology adjuvants CHEBI:60809 adjuvant CHEBI:60809 Any alpha-amino acid anion in which the parent amino acid has D-configuration. chebi_ontology 88.08520 C2H3NO2R C[C@@H](N)C([O-])=O D-alpha-amino acid anions D-alpha-amino carboxylate CHEBI:60895 D-alpha-amino acid anion CHEBI:60895 A racemate is an equimolar mixture of a pair of enantiomers. chebi_ontology melange racemique racemates racemic mixture CHEBI:60911 racemate CHEBI:60911 Any amino sugar that is a monosaccharide in which one alcoholic hydroxy group is replaced by an amino group. chebi_ontology amino monosaccharides CHEBI:60926 amino monosaccharide CHEBI:60926 A benzofuran that has formula C21H24O5. CAS:95851-37-9 KEGG:C10638 KNApSAcK:C00000719 Kadsurenone chebi_ontology 356.413 C21H24O5 COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1 VDYACOATPFOZIO-UBWHGVKJSA-N CHEBI:6097 Kadsurenone CHEBI:6097 A glucoside in which the anomeric carbon of the glycosidic bond is in a beta configuration chebi_ontology beta-glucosides CHEBI:60980 beta-glucoside CHEBI:60980 A nucleoside bisphosphate that has a purine nucleobase. chebi_ontology purine nucleoside bisphosphates CHEBI:61078 purine nucleoside bisphosphate CHEBI:61078 A nucleoside bisphosphate where sugar of the nucleoside is ribose. chebi_ontology ribonucleoside bisphosphates CHEBI:61079 ribonucleoside bisphosphate CHEBI:61079 An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). Wikipedia:Histone_deacetylase_inhibitor chebi_ontology EC 3.5.1.98 (histone deacetylase) inhibitors EC 3.5.1.98 inhibitor EC 3.5.1.98 inhibitors HDAC inhibitor HDAC inhibitors HDACi HDACis HDI HDIs histone amidohydrolase inhibitor histone amidohydrolase inhibitors histone deacetylase (EC 3.5.1.98) inhibitor histone deacetylase (EC 3.5.1.98) inhibitors histone deacetylase inhibitor histone deacetylase inhibitors CHEBI:61115 EC 3.5.1.98 (histone deacetylase) inhibitor CHEBI:61115 Any compound that has a nucleobase as a part. chebi_ontology nucleobase-containing compound nucleobase-containing compounds nucleobase-containing molecular entities CHEBI:61120 nucleobase-containing molecular entity CHEBI:61120 An organonitrogen heterocyclic compound that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methyl, and methoxy groups, respectively. CAS:39089-30-0 KEGG:C08693 KNApSAcK:C00001649 20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol Karakoline chebi_ontology 377.51764 Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)- C22H35NO4 Carmichaeline Carmicheline HKQZUYOVMYOFIT-VHNBHZRZSA-N InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1 Karacoline [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1([H])C[C@]2([H])[C@@]4(C)CC[C@H](O)[C@@]32C1N(CC)C4 CHEBI:6113 karakoline CHEBI:6113 A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group. (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate chebi_ontology 301.27080 AIONOLUJZLIMTK-AWEZNQCLSA-M C16H13O6 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/p-1/t14-/m0/s1 hesperetin anion CHEBI:61249 hesperetin(1-) CHEBI:61249 A nucleotide having adenine as the base. chebi_ontology CHEBI:61293 adenyl nucleotide CHEBI:61293 A purine riboncleotide where adenine is the purine. chebi_ontology adenine ribonucleotide CHEBI:61296 adenyl ribonucleotide CHEBI:61296 A dicarboxylate that contains four carbon atoms. chebi_ontology CHEBI:61336 C4-dicarboxylate CHEBI:61336 Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group. chebi_ontology 3-hydroxy carboxylic acids 3-hydroxycarboxylic acid 3-hydroxycarboxylic acids beta-hydroxy carboxylic acid beta-hydroxy carboxylic acids beta-hydroxycarboxylic acid beta-hydroxycarboxylic acids CHEBI:61355 3-hydroxy carboxylic acid CHEBI:61355 A polymer, composed of polyanion macromolecules. chebi_ontology polyanion polyanions CHEBI:61469 polyanionic polymer CHEBI:61469 Any saponin derived from a hydroxysteroid. PMID:18486659 PMID:20346608 PMID:20846658 chebi_ontology glycosteroid glycosteroids glycosyl steroid glycosyl steroids steroid glycoside steroid glycosides steroid saponins steroidal glycoside steroidal glycosides sterol glycoside sterol glycosides steryl glycoside steryl glycosides CHEBI:61655 steroid saponin CHEBI:61655 Any organic molecular entity derived from a fatty acid. chebi_ontology FA derivative FA derivatives fatty acid derivatives CHEBI:61697 fatty acid derivative CHEBI:61697 A carbotricyclic compound and sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, 4 and 7 (the 1aR,4R,4aR,7bS- diastereoisomer). It has been isolated from plant species like Anaphalis nubigena and Jatropha ribifolia. CAS:489-40-7 KEGG:C19734 MetaCyc:CPD-12891 PMID:10190971 PMID:19731610 PMID:23365607 PMID:24371539 Reaxys:1939514 (-)-alpha-gurjunene (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene chebi_ontology 204.35110 C15H24 InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1 SPCXZDDGSGTVAW-XIDUGBJDSA-N [H][C@]12CCC(C)=C1[C@@]1([H])[C@@]([H])(CC[C@H]2C)C1(C)C CHEBI:61699 (-)-alpha-gurjunene CHEBI:61699 A terpenoid in which one or more hydroxy functions are glycosylated. chebi_ontology terpene glycosides CHEBI:61777 terpene glycoside CHEBI:61777 A terpene glycoside in which the terpene moiety is a triterpenoid. Wikipedia:Triterpenoid_saponin chebi_ontology triterpene glycoside triterpene glycosides triterpenoid saponins CHEBI:61778 triterpenoid saponin CHEBI:61778 Any fatty aldehyde with one double or triple bond located at any position in the aliphatic chain. chebi_ontology monounsaturated fatty acid aldehydes CHEBI:61870 monounsaturated fatty acid aldehyde CHEBI:61870 A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any oxo-fatty acid. chebi_ontology oxo-FA-CoA oxo-FA-coenzyme A oxo-fatty acyl-coenzyme A CHEBI:61903 oxo-fatty acyl-CoA CHEBI:61903 A fatty acyl-CoA in which the fatty acyl group has a chain length greater than C22. PMID:16768463 PMID:20360933 PMID:20530735 PMID:20798351 chebi_ontology VLCA-coenzyme A VLCFA-CoA VLCFA-CoAs VLCFA-coenzyme A VLCFA-coenzyme As very long-chain acyl-CoA very long-chain acyl-coenzyme A very long-chain fatty acyl-coenzyme A very long-chain fatty acyl-coenzyme As CHEBI:61910 very long-chain fatty acyl-CoA CHEBI:61910 Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group. MetaCyc:Polar-amino-acids chebi_ontology 74.05870 C2H4NO2R [NH3+]C([*])C([O-])=O a polar amino acid CHEBI:62031 polar amino acid zwitterion CHEBI:62031 Any donor that can transfer acyl groups between molecular entities. PMID:16100120 PMID:19052863 chebi_ontology CHEBI:62049 acyl donor CHEBI:62049 A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory. chebi_ontology allelochemicals CHEBI:62215 allelochemical CHEBI:62215 A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell. chebi_ontology signal molecule signal molecules signaling molecule signaling molecules signalling molecules CHEBI:62488 signalling molecule CHEBI:62488 Any branched-chain fatty acid containing methyl branches only. PMID:17030019 PMID:19747846 PMID:19933331 chebi_ontology methyl-branched fatty acids CHEBI:62499 methyl-branched fatty acid CHEBI:62499 Any sesquiterpenoid having a eudesmane skeleton. chebi_ontology eudesmane sesquiterpenoids CHEBI:62508 eudesmane sesquiterpenoid CHEBI:62508 A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-4 and C-5. CAS:1209-71-8 KEGG:C17124 PMID:11374955 PMID:11411523 PMID:11671565 PMID:11836934 PMID:17826984 PMID:18495186 PMID:19750507 PMID:19768997 PMID:20527953 Reaxys:5332265 2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol eudesm-4-en-11-ol chebi_ontology (+)-gamma-eudesmol 222.36630 C15H26O CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(C)(C)O InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1 Machilol Selinenol Uncineol WMOPMQRJLLIEJV-IUODEOHRSA-N CHEBI:62513 gamma-eudesmol CHEBI:62513 Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-). chebi_ontology a phospholipid derivative anionic phospholipids phospholipid anion phospholipid anions CHEBI:62643 anionic phospholipid CHEBI:62643 An ester where the ester linkage is bonded directly to an aromatic system. chebi_ontology aromatic esters CHEBI:62732 aromatic ester CHEBI:62732 An amide in which the amide linkage is bonded directly to an aromatic system. chebi_ontology aromatic amides CHEBI:62733 aromatic amide CHEBI:62733 chebi_ontology glycine receptor antagonists CHEBI:62754 glycine receptor antagonist CHEBI:62754 Any additive that enhances the efficiency of fuel. chebi_ontology fuel additives fuel enhancer CHEBI:62803 fuel additive CHEBI:62803 A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4. CAS:33880-83-0 KEGG:C17094 PMID:18442668 PMID:19513519 PMID:20193603 PMID:20399285 PMID:20405479 PMID:20416170 PMID:20456328 PMID:20563582 PMID:20663036 PMID:21246417 PMID:21616632 PMID:21681682 PMID:21809584 beta-Elemene rel-(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane chebi_ontology (1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane (1alpha,2beta,4beta)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane (1alpha,2beta,4beta)-1-methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane rel-(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane CHEBI:62854 beta-elemene CHEBI:62854 Any compound that is able to prevent damage to the liver. chebi_ontology antihepatotoxic agent hepatoprotective agents CHEBI:62868 hepatoprotective agent CHEBI:62868 An agonist that selectively binds to and activates an odorant receptor. chebi_ontology CHEBI:62873 odorant receptor agonist CHEBI:62873 The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability. chebi_ontology emulgent emulgents emulsifiers CHEBI:63046 emulsifier CHEBI:63046 A food additive used to form or maintain a uniform emulsion of two (or more) phases in a food. chebi_ontology food emulsifiers CHEBI:63047 food emulsifier CHEBI:63047 Any zinc ion that is positively charged. chebi_ontology zinc cations CHEBI:63056 zinc cation CHEBI:63056 A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity. chebi_ontology glycosyl compounds CHEBI:63161 glycosyl compound CHEBI:63161 An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate. chebi_ontology ribonucleoside monophosphate oxoanions CHEBI:63165 ribonucleoside monophosphate oxoanion CHEBI:63165 A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil. chebi_ontology CHEBI:63191 beta-caryophyllene CHEBI:63191 Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds. chebi_ontology carbohydrate derivatives derivatised carbohydrate derivatised carbohydrates derivatized carbohydrate derivatized carbohydrates CHEBI:63299 carbohydrate derivative CHEBI:63299 A carbohydrate derivative that is formally obtained from a disaccharide. chebi_ontology disaccharide derivatives CHEBI:63353 disaccharide derivative CHEBI:63353 A carbohydrate derivative that is formally obtained from a monosaccharide. chebi_ontology monosaccharide derivatives CHEBI:63367 monosaccharide derivative CHEBI:63367 A monosaccharide derivative that is formally obtained from a pentose. chebi_ontology pentose derivatives CHEBI:63409 pentose derivative CHEBI:63409 A retintinyl ester in which all double bonds of the retinyl side-chain have trans-configuration. HMDB:HMDB03598 KEGG:C02075 MetaCyc:All-trans-Retinyl-Esters PMID:12741839 PMID:16116091 PMID:19490105 chebi_ontology 313.45380 C21H29O2R CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/COC([*])=O an all-trans-retinyl ester CHEBI:63410 all-trans-retinyl ester CHEBI:63410 A carbohydrate derivative that is formally obtained from a carbohydrate acid. chebi_ontology carbohydrate acid derivatives CHEBI:63436 carbohydrate acid derivative CHEBI:63436 A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated). chebi_ontology sulfur-containing amino-acid anions CHEBI:63470 sulfur-containing amino-acid anion CHEBI:63470 A branched-chain amino acid whose alpha-carboxylic acid group is ionized (not protonated). chebi_ontology branched-chain amino-acid anions CHEBI:63471 branched-chain amino-acid anion CHEBI:63471 An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated). chebi_ontology aromatic amino-acid anions CHEBI:63473 aromatic amino-acid anion CHEBI:63473 A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative. chebi_ontology carbohydrate acid anion derivative carbohydrate acid anion derivatives carbohydrate acid derivative anions CHEBI:63551 carbohydrate acid derivative anion CHEBI:63551 A carbohydrate derivative that is formally obtained from an oligosaccharide. chebi_ontology O-glycosylglycoside derivative O-glycosylglycoside derivatives oligosaccharide derivatives CHEBI:63563 oligosaccharide derivative CHEBI:63563 An oligosaccharide derivative that is formally obtained from a pentasaccharide. chebi_ontology pentasaccharide derivatives CHEBI:63566 pentasaccharide derivative CHEBI:63566 A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer). PMID:21276937 Reaxys:2501562 (-)-delta-cadinene (1R,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene chebi_ontology (1R,8aS)-4,7-dimethyl-1-isopropyl-1,2,3,5,6,8a-hexahydronaphthalene 204.35110 C15H24 FUCYIEXQVQJBKY-UKRRQHHQSA-N InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m1/s1 [H][C@]12C=C(C)CCC1=C(C)CC[C@@H]2C(C)C CHEBI:63703 (-)-delta-cadinene CHEBI:63703 Any compound that can be used for the treatment of neurodegenerative disorders. chebi_ontology neuroprotectant neuroprotectants neuroprotective agents CHEBI:63726 neuroprotective agent CHEBI:63726 An agonist that selectively binds to and activates a retinoid X receptor. Wikipedia:Retinoid_X_receptor chebi_ontology retinoid X receptor agonists CHEBI:63794 retinoid X receptor agonist CHEBI:63794 A monohydroxybenzoate that is the conjugate base of 3-hydroxy-4-methoxybenzoic acid, arising from deprotonation of the carboxy group. PMID:1083208 PMID:11327601 PMID:16707678 PMID:7813485 Reaxys:6504382 3-hydroxy-4-methoxybenzoate chebi_ontology 167.13880 C8H7O4 COc1ccc(cc1O)C([O-])=O InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 LBKFGYZQBSGRHY-UHFFFAOYSA-M isovanillate CHEBI:63797 3-hydroxy-4-methoxybenzoate CHEBI:63797 A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. Beilstein:2208365 CAS:645-08-9 HMDB:HMDB60003 PMID:23477143 PMID:24820992 PMID:24956816 Reaxys:2208365 3-hydroxy-4-methoxybenzoic acid chebi_ontology 168.14670 3-Hydroxyanisic acid 3-hydroxy-p-anisic acid Acide isovanillique C8H8O4 COc1ccc(cc1O)C(O)=O InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) Isovanillic acid LBKFGYZQBSGRHY-UHFFFAOYSA-N CHEBI:63798 3-hydroxy-4-methoxybenzoic acid CHEBI:63798 A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions. CAS:111-76-2 HMDB:HMDB31327 KEGG:C19355 PMID:15371241 PMID:15705494 PMID:22330932 PMID:9372852 Patent:US2448767 Reaxys:1732511 Wikipedia:2-Butoxyethanol 2-butoxyethanol chebi_ontology 118.17420 2-hydroxyethyl n-butyl ether 3-oxa-1-heptanol BuOCH2CH2OH C6H14O2 CCCCOCCO InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 O-butyl ethylene glycol POAOYUHQDCAZBD-UHFFFAOYSA-N butoxyethanol butyl cellosolve butyl glycol butyl oxitol ethylene glycol butyl ether ethylene glycol mono-n-butyl ether ethylene glycol monobutyl ether glycol butyl ether n-butoxyethanol CHEBI:63921 2-butoxyethanol CHEBI:63921 Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule. CHEBI:50333 chebi_ontology macrocyclic lactones CHEBI:63944 macrocyclic lactone CHEBI:63944 A pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM). CAS:34157-83-0 HMDB:HMDB02385 PMID:11809076 PMID:15593077 PMID:20934245 PMID:20954803 PMID:21134410 PMID:21414301 PMID:21425580 PMID:21466843 PMID:21569548 PMID:21666907 PMID:21850367 PMID:21865725 PMID:21866552 PMID:22087583 PMID:22206928 PMID:22334592 Patent:KR20100097843 Patent:US2011263693 Reaxys:2194425 (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid chebi_ontology (2R,4aS,6aS,12bR,14aS,14bR)-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-2-picenecarboxylic acid 3-hydroxy-9beta,13alpha-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid 450.60960 C29H38O4 D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20alpha)- InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 KQJSQWZMSAGSHN-JJWQIEBTSA-N Tripterine [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O CHEBI:63959 celastrol CHEBI:63959 An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90. PMID:19860732 PMID:19946660 PMID:22035754 PMID:22920907 PMID:22959035 PMID:23160336 PMID:23312026 Wikipedia:Hsp90_inhibitors chebi_ontology Hsp90 inhibitors heat shock protein 90 inhibitor heat shock protein 90 inhibitors CHEBI:63962 Hsp90 inhibitor CHEBI:63962 An agonist that selectively binds to and activates a protein kinase C receptor chebi_ontology protein kinase C agonists CHEBI:64018 protein kinase C agonist CHEBI:64018 Any substance which is added to food to preserve or enhance its flavour and/or appearance. Wikipedia:Food_additive chebi_ontology food additives CHEBI:64047 food additive CHEBI:64047 A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. Wikipedia:Acidity_regulator chebi_ontology acidity regulator acidity regulators food acidity regulators pH control agent pH control agents CHEBI:64049 food acidity regulator CHEBI:64049 An agonist that selectively binds to and activates a protein kinase receptor. chebi_ontology protein kinase agonists CHEBI:64106 protein kinase agonist CHEBI:64106 A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material). PMID:15373456 Patent:EP2060919 Wikipedia:Matrix-assisted_laser_desorption/ionization#Matrix chebi_ontology 'matrix-assisted laser desorption/ionization' matrix material 'matrix-assisted laser desorption/ionization' matrix materials MALDI matrix materials MALDI matrix solution MALDI matrix solutions CHEBI:64345 MALDI matrix material CHEBI:64345 An organic amino compound in which an aminoalkyl group is linked to an arene. chebi_ontology aralkylamino compounds CHEBI:64365 aralkylamino compound CHEBI:64365 A metabolite of plant origin (phytochemical) which acts as a source material for biosynthesis of both lignans and lignin. Wikipedia:Monolignol chebi_ontology monolignols CHEBI:64477 monolignol CHEBI:64477 A benzofuran that has formula C20H22O4. CAS:51020-86-1 KEGG:C10650 KNApSAcK:C00002611 Licarin A chebi_ontology (+)(-)-trans-Dehydrodiisoeugenol 326.387 C20H22O4 COc1cc(\C=C\C)cc2[C@H](C)[C@H](Oc12)c1ccc(O)c(OC)c1 ITDOFWOJEDZPCF-FNINDUDTSA-N InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1 CHEBI:6451 Licarin A CHEBI:6451 Sinapyl alcohol in which the configuration of the propenyl double bond is E. It is one of the main monolignols. AGR:IND43654461 CAS:537-33-7 KEGG:C02325 KNApSAcK:C00002778 PMID:12659499 Reaxys:3084126 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol chebi_ontology (E)-sinapyl alcohol 210.22650 C11H14O4 COc1cc(cc(OC)c1O)\C=C\CO InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ LZFOPEXOUVTGJS-ONEGZZNKSA-N Sinapoyl alcohol CHEBI:64557 trans-sinapyl alcohol CHEBI:64557 An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3. 2-azaniumyl-4-(methylsulfanyl)butanoate chebi_ontology 149.21100 2-ammonio-4-(methylsulfanyl)butanoate C5H11NO2S CSCCC([NH3+])C([O-])=O FFEARJCKVFRZRR-UHFFFAOYSA-N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) methionine CHEBI:64558 methionine zwitterion CHEBI:64558 An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1). Wikipedia:Glycine_hydroxymethyltransferase chebi_ontology 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors EC 2.1.2.1 inhibitor EC 2.1.2.1 inhibitors L-serine hydroxymethyltransferase inhibitor L-serine hydroxymethyltransferase inhibitors L-threonine aldolase inhibitor L-threonine aldolase inhibitors allothreonine aldolase inhibitor allothreonine aldolase inhibitors glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors glycine hydroxymethyltransferase inhibitor glycine hydroxymethyltransferase inhibitors serine aldolase inhibitor serine aldolase inhibitors serine hydroxymethylase inhibitor serine hydroxymethylase inhibitors serine hydroxymethyltransferase inhibitor serine hydroxymethyltransferase inhibitors serine transhydroxymethylase inhibitor serine transhydroxymethylase inhibitors threonine aldolase inhibitor threonine aldolase inhibitors CHEBI:64570 EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor CHEBI:64570 An excitatory amino acid agonist which binds to NMDA receptors and triggers a response. chebi_ontology N-methyl-D-aspartate receptor agonist N-methyl-D-aspartate receptor agonists NMDA receptor agonists NMDAR agonist NMDAR agonists CHEBI:64571 NMDA receptor agonist CHEBI:64571 A quercetin O-glycoside that is an O-glucosylated derivative of quercetin. chebi_ontology quercetin O-glucosides CHEBI:64621 quercetin O-glucoside CHEBI:64621 A glycosyloxyflavone that is an O-glucosylated derivative of kaempferol. chebi_ontology CHEBI:64634 kaempferol O-glucoside CHEBI:64634 An inorganic cation with a valency of two. chebi_ontology CHEBI:64641 divalent inorganic cation CHEBI:64641 An organic molecular entity containing a single carbon atom (C1). chebi_ontology one-carbon compounds CHEBI:64708 one-carbon compound CHEBI:64708 Any organic molecular entity that is acidic and contains carbon in covalent linkage. chebi_ontology organic acids CHEBI:64709 organic acid CHEBI:64709 An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of phosphatidylinositol-specific phospholipase C (EC 3.1.4.11). Wikipedia:Phosphatidylinositol-specific_phospholipase_C chebi_ontology 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitor 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitors EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitors EC 3.1.4.11 inhibitor EC 3.1.4.11 inhibitors PI-PLC inhibitor PI-PLC inhibitors monophosphatidylinositol phosphodiesterase inhibitor monophosphatidylinositol phosphodiesterase inhibitors phosphatidylinositol phospholipase C inhibitor phosphatidylinositol phospholipase C inhibitors phosphatidylinositol-specific phospholipase C inhibitor phosphatidylinositol-specific phospholipase C inhibitors phosphoinositidase C inhibitor phosphoinositidase C inhibitors phosphoinositide phospholipase C (EC 3.1.4.11) inhibitor phosphoinositide phospholipase C (EC 3.1.4.11) inhibitors phosphoinositide phospholipase C inhibitor phosphoinositide phospholipase C inhibitors triphosphoinositide phosphodiesterase inhibitor triphosphoinositide phosphodiesterase inhibitors CHEBI:64763 EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor CHEBI:64763 The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it. Wikipedia:Cosmetics chebi_ontology cosmetic component cosmetics CHEBI:64857 cosmetic CHEBI:64857 Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism. Wikipedia:Poison chebi_ontology poisonous agent poisonous agents poisonous substance poisonous substances poisons toxic agent toxic agents toxic substance toxic substances CHEBI:64909 poison CHEBI:64909 An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. chebi_ontology antiplasmodial agent antiplasmodial agents antiplasmodial drugs antiplasmodium agent antiplasmodium agents antiplasmodium drug antiplasmodium drugs CHEBI:64915 antiplasmodial drug CHEBI:64915 An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. chebi_ontology anti-AIDS agent anti-AIDS agents anti-HIV agents CHEBI:64946 anti-HIV agent CHEBI:64946 An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus. chebi_ontology anti-HIV-1 agents anti-HTLV-III agent anti-HTLV-III agents anti-LAV agent anti-LAV agents CHEBI:64947 anti-HIV-1 agent CHEBI:64947 An antiviral agent that destroys or inhibits the replication of the hepatitis B virus. PMID:20712567 chebi_ontology anti-HBV agents anti-hepatitis B virus agent anti-hepatitis B virus agents CHEBI:64951 anti-HBV agent CHEBI:64951 A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34). chebi_ontology 5-LOX inhibitor 5-LOX inhibitors 5-lipoxygenase inhibitor 5-lipoxygenase inhibitors 5delta-lipoxygenase inhibitor 5delta-lipoxygenase inhibitors C-5-lipoxygenase inhibitor C-5-lipoxygenase inhibitors EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitors EC 1.13.11.34 inhibitor EC 1.13.11.34 inhibitors LTA synthase inhibitor LTA synthase inhibitors arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitor arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitors arachidonate 5-lipoxygenase inhibitor arachidonate 5-lipoxygenase inhibitors arachidonic 5-lipoxygenase inhibitor arachidonic 5-lipoxygenase inhibitors arachidonic acid 5-lipoxygenase inhibitor arachidonic acid 5-lipoxygenase inhibitors delta(5)-lipoxygenase inhibitor delta(5)-lipoxygenase inhibitors leukotriene A4 synthase inhibitor leukotriene A4 synthase inhibitors leukotriene-A4 synthase inhibitor leukotriene-A4 synthase inhibitors CHEBI:64964 EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor CHEBI:64964 A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33). chebi_ontology 15-LOX inhibitor 15-LOX inhibitors 15-lipoxygenase inhibitor 15-lipoxygenase inhibitors EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitors EC 1.13.11.33 inhibitor EC 1.13.11.33 inhibitors arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitor arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitors arachidonate 15-lipoxygenase inhibitor arachidonate 15-lipoxygenase inhibitors arachidonate:oxygen 15-oxidoreductase inhibitor arachidonate:oxygen 15-oxidoreductase inhibitors linoleic acid omega(6)-lipoxygenase inhibitor linoleic acid omega(6)-lipoxygenase inhibitors omega(6) lipoxygenase inhibitor omega(6) lipoxygenase inhibitors CHEBI:64996 EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor CHEBI:64996 Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3). chebi_ontology EC 3.1.1.3 (triacylglycerol lipase) inhibitors EC 3.1.1.3 inhibitor EC 3.1.1.3 inhibitors GEH inhibitor GEH inhibitors PPL inhibitor PPL inhibitors Tween hydrolase inhibitor Tween hydrolase inhibitors Tweenase inhibitor Tweenase inhibitors Tweenesterase inhibitor Tweenesterase inhibitors butyrinase inhibitor butyrinase inhibitors cacordase inhibitor cacordase inhibitors capalase L inhibitor capalase L inhibitors glycerol ester hydrolase inhibitor glycerol ester hydrolase inhibitors glycerol-ester hydrolase inhibitor glycerol-ester hydrolase inhibitors heparin releasable hepatic lipase inhibitor heparin releasable hepatic lipase inhibitors hepatic lipase inhibitor hepatic lipase inhibitors hepatic monoacylglycerol acyltransferase inhibitor hepatic monoacylglycerol acyltransferase inhibitors lipase inhibitor lipase inhibitors lipazin inhibitor lipazin inhibitors liver lipase inhibitor liver lipase inhibitors pancreatic lipase inhibitor pancreatic lipase inhibitors pancreatic triacylglycerol lipase inhibitor pancreatic triacylglycerol lipase inhibitors post-heparin plasma protamine-resistant lipase inhibitor post-heparin plasma protamine-resistant lipase inhibitors salt-resistant post-heparin lipase inhibitor salt-resistant post-heparin lipase inhibitors steapsin inhibitor steapsin inhibitors triacetinase inhibitor triacetinase inhibitors triacylglycerol ester hydrolase inhibitor triacylglycerol ester hydrolase inhibitors triacylglycerol lipase (EC 3.1.1.3) inhibitor triacylglycerol lipase (EC 3.1.1.3) inhibitors triacylglycerol lipase inhibitor triacylglycerol lipase inhibitors tributyrase inhibitor tributyrase inhibitors tributyrin esterase inhibitor tributyrin esterase inhibitors tributyrinase inhibitor tributyrinase inhibitors triglyceridase inhibitor triglyceridase inhibitors triglyceride hydrolase inhibitor triglyceride hydrolase inhibitors triglyceride lipase inhibitor triglyceride lipase inhibitors triolein hydrolase inhibitor triolein hydrolase inhibitors tween-hydrolysing esterase inhibitor tween-hydrolyzing esterase inhibitors CHEBI:65001 EC 3.1.1.3 (triacylglycerol lipase) inhibitor CHEBI:65001 Any compound that has anti-asthmatic effects. chebi_ontology anti-asthmatic agents antiasthmatic agent antiasthmatic agents CHEBI:65023 anti-asthmatic agent CHEBI:65023 Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. chebi_ontology food preservatives CHEBI:65255 food preservative CHEBI:65255 A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). chebi_ontology antimicrobial food preservatives antimicrobial preservative antimicrobial preservatives CHEBI:65256 antimicrobial food preservative CHEBI:65256 An indole alkaloid which is biosynthesised from L-tryptophan and isoprenoid building blocks. chebi_ontology terpenoid indole alkaloids CHEBI:65321 terpenoid indole alkaloid CHEBI:65321 A terpenoid indole alkaloid which is biosynthesised from L-tryptophan and diisoprenoid (usually secolaganin) building blocks. PMID:18280746 PMID:20717879 PMID:21425787 PMID:22679912 chebi_ontology monoterpenoid indole alkaloids CHEBI:65323 monoterpenoid indole alkaloid CHEBI:65323 A cinnamate ester obtained by formal condensation of caffeic acid with any alkyl alcohol. PMID:22797656 chebi_ontology C9H7O4R COC(=O)\C=C\c1ccc(O)c(O)c1 alkyl caffeate CHEBI:65331 alkyl caffeate ester CHEBI:65331 A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare. CAS:572-30-5 HMDB:HMDB30860 LIPID_MAPS_instance:LMPK12112167 PMID:12787957 PMID:14600382 PMID:17177509 PMID:17269066 PMID:21226126 PMID:22305062 PMID:22953911 PMID:2631115 Reaxys:100404 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl alpha-L-arabinofuranoside chebi_ontology 434.35030 Avicularine Avicularoside BDCDNTVZSILEOY-UXYNSRGZSA-N C20H18O11 Fenicularin InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1 OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O Quercetin 3-alpha-L-arabinofuranoside CHEBI:65460 avicularin CHEBI:65460 A pentacyclic triterpenoid that is lupane in which the hydrogen at the 3beta position is substituted by a hydroxy group. It occurs in the skin of lupin seeds, as well as in the latex of fig trees and of rubber plants. It is also found in many edible fruits and vegetables. CHEBI:132397 CAS:545-47-1 KEGG:C08628 KNApSAcK:C00003749 MetaCyc:CPD-90 PMID:10930257 PMID:16445885 PMID:17107079 PMID:21118697 PMID:21467639 PMID:21712449 PMID:9883589 Reaxys:2063497 (3beta)-lup-20(29)-en-3-ol lupeol chebi_ontology 426.71740 C30H50O InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 MQYXUWHLBZFQQO-QGTGJCAVSA-N [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)=C)[C@]21[H] beta-viscol fagarasterol monogynol B CHEBI:6570 lupeol CHEBI:6570 A sesquiterpene alkaloid that is a macrolide incorporating a substituted pyridine and dihydroagarofuran moieties. Isolated from root barks of Tripterygium hypoglaucum, it exhibits anti-HIV activity. PMID:10757718 Reaxys:8105725 chebi_ontology 1,5,7,8,11-pentaacetoxy-2-furanoyl-4-hydroxy-3,15[2'-hydroxy-2',3'-dimethyl-3'-(3''-carboxy-4''-pyridyl)-propanoic acid]dicarbolactone-dihydroagarofuran 873.80660 C41H47NO20 InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-35(49)26-11-10-14-53-26)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18?,27-,28-,29+,30-,31+,32-,33+,37+,38?,39+,40-,41+/m1/s1 JXQXTWWCCNHEQZ-PEWXIWONSA-N [H][C@]12OC(=O)C(C)(O)C(C)c3ccncc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(=O)c1ccco1)[C@@]2(C)O CHEBI:66060 hypoglaunine B CHEBI:66060 A hexacyclic triterpenoid that is D:A-friedooleanan-29-oic acid substituted by a hydroxy group at position 3 and an epoxy group across positions 3 and 24 (the (3beta,20alpha stereoisomer). Isolated from Salacia macrosperma and Tripterygium wilfordii, it exhibits anti-HIV activity. CAS:71247-78-4 CBA:338605 CBA:371262 CBA:379028 PMID:1375626 PMID:17972583 PMID:7720147 PMID:8158155 Reaxys:4889115 (3S,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-3-hydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-3,5a-methanochryseno[2,1-c]oxepine-12(5H)-carboxylic acid chebi_ontology (3beta,20alpha)-3,24-epoxy-3-hydroxy-D:A-friedooleanan-29-oic acid 472.69970 C30H48O4 InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30+/m1/s1 ZXENWDWQTWYUGY-UUZWCOCASA-N [H][C@@]12CC[C@]3(O)OC[C@@]1(CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]4([H])C[C@@](C)(CC[C@]4(C)CC[C@]12C)C(O)=O)[C@H]3C CHEBI:66153 salaspermic acid CHEBI:66153 A kaurane diterpenoid that is (5beta,8alpha,13alpha)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of Tripterygium wilfordii, it exhibits anti-HIV activity. CAS:139122-81-9 KNApSAcK:C00041947 PMID:10579865 PMID:1602302 PMID:8328267 Reaxys:8587307 (5beta,8alpha,13alpha)-16-hydroxy-18,20-epoxykauran-18-one chebi_ontology 318.45040 C20H30O3 C[C@]1(O)C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)([C@H]1CC3)C(=O)OC2 InChI=1S/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1 KLMZPLYXGZZBCX-TYOHIEAGSA-N Kauran-18-oic acid, 16,20-dihydroxy-, delta-lactone,(4alpha)- hypodiolide A CHEBI:66275 tripterifordin CHEBI:66275 A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum. CAS:168009-84-5 PMID:10757718 Reaxys:8306033 chebi_ontology 945.91230 C45H55NO21 COC(=O)C[C@@H]1C(=O)CC[C@H](C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)c3cccnc3[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O GHLDKPNDMMVFDQ-OFWWAFBUSA-N InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20+,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1 CHEBI:66276 triptonine A CHEBI:66276 A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum. CAS:168009-85-6 PMID:10757718 Reaxys:8305955 chebi_ontology 961.91170 C45H55NO22 COC(=O)CC1C(=O)CCC(C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)c3cnccc3C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O GSBZVVMZYQMZBG-XMOOUNKUSA-N InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1 CHEBI:66277 triptonine B CHEBI:66277 An isoquinoline alkaloid that has formula C20H24NO4. CAS:2141-09-5 KEGG:C09581 KNApSAcK:C00001885 Magnoflorine chebi_ontology 342.410 C20H24NO4 COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 YLRXAIKMLINXQY-ZDUSSCGKSA-O CHEBI:6641 Magnoflorine CHEBI:6641 A triterpenoid saponin isolated from Scilla scilloides and has been shown to exhibit anti-tumour activity. PMID:12237544 Reaxys:6048738 chebi_ontology 1223.35080 15-deoxoeucosterol-3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside C58H94O27 InChI=1S/C58H94O27/c1-8-27(62)29-17-23(2)58(85-29)16-15-56(6)26-9-10-33-54(4,25(26)11-14-57(56,58)7)13-12-34(55(33,5)22-61)81-50-44(73)42(71)38(67)32(80-50)21-76-52-47(36(65)28(63)20-75-52)83-53-48(84-49-43(72)40(69)35(64)24(3)77-49)46(39(68)31(19-60)79-53)82-51-45(74)41(70)37(66)30(18-59)78-51/h23-24,28-53,59-61,63-74H,8-22H2,1-7H3/t23-,24+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58+/m1/s1 LLBZPESJRQGYMB-VFEURASPSA-N [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@@]([H])(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])[C@@]2(C)CO)[C@]2(C)CC[C@@]3(O[C@@H](C[C@H]3C)C(=O)CC)[C@@]2(C)CC4)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:66439 sciscllascilloside E-1 CHEBI:66439 A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. CAS:607-80-7 HMDB:HMDB34256 KEGG:C10882 KNApSAcK:C00000601 MetaCyc:CPD-8922 PMID:16309310 PMID:16785429 PMID:21043475 PMID:21973101 Reaxys:96118 Wikipedia:Sesamin 5,5'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(1,3-benzodioxole) chebi_ontology 354.35330 C20H18O6 Fagarol InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 PEYUIKBAABKQKQ-AFHBHXEDSA-N Sezamin [H][C@]12CO[C@H](c3ccc4OCOc4c3)[C@@]1([H])CO[C@@H]2c1ccc2OCOc2c1 CHEBI:66470 (+)-sesamin CHEBI:66470 A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group. Beilstein:1723539 CAS:6915-15-7 Gmelin:3325 HMDB:HMDB00744 KEGG:C00711 KEGG:D04843 MetaCyc:RS-Malate PMID:15767321 PMID:17190852 PMID:17439666 PMID:17896933 PMID:19743855 PMID:22411507 Reaxys:1723539 Wikipedia:Malic_acid 2-hydroxybutanedioic acid Malic acid chebi_ontology 134.08744 2-Hydroxybutanedioic acid 2-Hydroxyethane-1,2-dicarboxylic acid 2-Hydroxysuccinic acid Aepfelsaeure BJEPYKJPYRNKOW-UHFFFAOYSA-N C4H6O5 DL-Malic acid E296 H2mal InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) OC(CC(O)=O)C(O)=O alpha-hydroxysuccinic acid apple acid hydroxybutanedioic acid hydroxysuccinic acid CHEBI:6650 malic acid CHEBI:6650 A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 2 and 3 and a carboxy group at position 28 (the 2alpha,3beta stereoisomer). It is isolated from Olea europaea and Salvia canariensis and exhibits anti-inflammatory, antioxidant and antineoplastic activity. CAS:4373-41-5 HMDB:HMDB02392 KEGG:C16939 PMID:12802735 PMID:21288041 PMID:21309591 PMID:21384845 PMID:21973054 PMID:23003682 PMID:23175023 Patent:CN102106861 Patent:CN102579456 Patent:US2011105611 Patent:WO2011015692 Reaxys:2711878 Wikipedia:Maslinic_acid (2alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid chebi_ontology 472.69970 C30H48O4 Crategolic acid InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 MDZKJHQSJHYOHJ-LLICELPBSA-N Masilinic acid [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O CHEBI:66682 maslinic acid CHEBI:66682 A triterpenoid that has formula C30H48O3. CAS:33600-93-0 PMID:2095372 chebi_ontology 3-Oxofriedelan-20alpha-29-oic acid 456.70030 C30H48O3 InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,25+,26+,27+,28-,29+,30-/m0/s1 Maytenonic acid WHWHDGKOSUKYOV-GDXNDQEESA-N [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O CHEBI:66769 Polpunonic acid CHEBI:66769 Any dicarboxylic acid that contains four carbon atoms. chebi_ontology C4-dicarboxylic acids CHEBI:66873 C4-dicarboxylic acid CHEBI:66873 An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3. 2-azaniumylpropanoate chebi_ontology 2-ammoniopropanoate 89.09320 C3H7NO2 CC([NH3+])C([O-])=O InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N CHEBI:66916 alanine zwitterion CHEBI:66916 A marmesin that has formula C14H14O4. Beilstein:85844 CAS:13849-08-6 KEGG:C09276 KNApSAcK:C00000584 LINCS:LSM-2799 (+)-Marmesin (2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one chebi_ontology (+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one (7S)-marmesin (S)-(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one (S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one (S)-marmesin 246.25856 C14H14O4 FWYSBEAFFPBAQU-LBPRGKRZSA-N InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1 Marmesin S-(+)-marmesin [H][C@]1(Cc2cc3ccc(=O)oc3cc2O1)C(C)(C)O CHEBI:6695 (+)-marmesin CHEBI:6695 A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). CHEBI:43819 CHEBI:65005 CAS:580-72-3 DrugBank:DB04200 KEGG:C10682 KNApSAcK:C00000606 MetaCyc:CPD-8912 PDBeChem:MAX PMID:15653677 PMID:19935713 PMID:20734328 PMID:21315909 PMID:21522091 PMID:21597179 PMID:21736835 PMID:22037685 PMID:22113872 PMID:22396124 PMID:22483751 PMID:22646817 Reaxys:93883 Wikipedia:Matairesinol (-)-matairesinol (3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one chebi_ontology 358.38510 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone Artigenin congener C20H22O6 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 MATGKVZWFZHCLI-LSDHHAIUSA-N Matairesinol CHEBI:6698 (-)-matairesinol CHEBI:6698 chebi_ontology radiation protective agents radiation protective drug radiation protective drugs CHEBI:66987 radiation protective agent CHEBI:66987 Any branched-chain fatty acid anion containing methyl branches only. chebi_ontology methyl-branched fatty acid anions CHEBI:67013 methyl-branched fatty acid anion CHEBI:67013 Any compound that has anti-inflammatory effects. chebi_ontology anti-inflammatory agents antiinflammatory agent antiinflammatory agents CHEBI:67079 anti-inflammatory agent CHEBI:67079 An inhibitor that interferes with the process of gap junctional intercellular communication. Wikipedia:Gap_junction chebi_ontology gap junctional intercellular communication inhibitors CHEBI:67195 gap junctional intercellular communication inhibitor CHEBI:67195 An agonist that selectively binds to and activates a retinoic acid receptor. Wikipedia:Retinoic_acid_receptor chebi_ontology retinoic acid receptor agonists CHEBI:67198 retinoic acid receptor agonist CHEBI:67198 An antogonist that interferes with the action of activator protein 1 (AP-1). Wikipedia:Activator_protein_1 chebi_ontology AP-1 antagonists activator protein-1 antagonist activator protein-1 antagonists CHEBI:67199 AP-1 antagonist CHEBI:67199 A provitamin that can be converted into vitamin A by enzymes from animal tissues. chebi_ontology provitamin As CHEBI:67200 provitamin A CHEBI:67200 An EC 3.2.1.* (glycosidase) inhibitor that inhibits the action of sucrose oligo-1,6-glucosidase (EC 3.2.1.10). chebi_ontology EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitors EC 3.2.1.10 inhibitor EC 3.2.1.10 inhibitors alpha-limit dextrinase inhibitor alpha-limit dextrinase inhibitors dextrin 6-glucanohydrolase inhibitor dextrin 6-glucanohydrolase inhibitors dextrin 6alpha-glucanohydrolase inhibitor dextrin 6alpha-glucanohydrolase inhibitors exo-oligo-1,6-glucosidase inhibitor exo-oligo-1,6-glucosidase inhibitors isomaltase inhibitor isomaltase inhibitors oligo-1,6-glucosidase (EC 3.2.1.10) inhibitor oligo-1,6-glucosidase (EC 3.2.1.10) inhibitors oligo-1,6-glucosidase inhibitor oligo-1,6-glucosidase inhibitors oligosaccharide alpha-1,6-glucohydrolase inhibitor oligosaccharide alpha-1,6-glucohydrolase inhibitors sucrase-isomaltase inhibitor sucrase-isomaltase inhibitors CHEBI:67232 EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor CHEBI:67232 An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20). CHEBI:50628 Wikipedia:Alpha-glucosidase_inhibitor chebi_ontology EC 3.2.1.20 (alpha-glucosidase) inhibitors EC 3.2.1.20 inhibitor EC 3.2.1.20 inhibitors alpha-1,4-glucosidase inhibitor alpha-1,4-glucosidase inhibitors alpha-D-glucosidase inhibitor alpha-D-glucosidase inhibitors alpha-glucopyranosidase inhibitor alpha-glucopyranosidase inhibitors alpha-glucosidase (EC 3.2.1.20) inhibitor alpha-glucosidase (EC 3.2.1.20) inhibitors alpha-glucosidase inhibitor alpha-glucosidase inhibitors alpha-glucoside hydrolase inhibitor alpha-glucoside hydrolase inhibitors glucoinvertase inhibitor glucoinvertase inhibitors glucosidoinvertase inhibitor glucosidoinvertase inhibitors glucosidosucrase inhibitor glucosidosucrase inhibitors maltase inhibitor maltase inhibitors maltase-glucoamylase inhibitor maltase-glucoamylase inhibitors CHEBI:67239 EC 3.2.1.20 (alpha-glucosidase) inhibitor CHEBI:67239 A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2R,3S,4S-diastereomer). CAS:83327-19-9 MetaCyc:CPD-8908 PMID:21679690 PMID:22218086 PMID:22466741 PMID:8262939 Reaxys:5622895 (-)-lariciresinol 4-[(2R,3S,4S)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxyphenol chebi_ontology 360.40100 C20H24O6 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c2ccc(O)c(OC)c2)ccc1O InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1 Lariciresinol MHXCIKYXNYCMHY-SXGZJXTBSA-N CHEBI:67244 (-)-lariciresinol CHEBI:67244 A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). CAS:27003-73-2 CAS:83327-19-9 KEGG:C10646 KNApSAcK:C00000602 MetaCyc:CPD-8907 PMID:21138310 PMID:21679690 PMID:21973054 PMID:22218086 PMID:8262939 Wikipedia:Lariciresinol (+)-lariciresinol 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxyphenol chebi_ontology 360.40100 C20H24O6 COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(OC)c2)ccc1O InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1 Lariciresinol MHXCIKYXNYCMHY-AUSJPIAWSA-N CHEBI:67246 (+)-lariciresinol CHEBI:67246 A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. CHEBI:5836 CAS:482-36-0 HMDB:HMDB30775 KEGG:C10073 KNApSAcK:C00005372 LINCS:LSM-5907 LIPID_MAPS_instance:LMPK12112041 PMID:21428416 PMID:22324400 PMID:23220618 PMID:23291593 PMID:23835282 PMID:24173369 Reaxys:100990 Wikipedia:Hyperoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-galactopyranoside chebi_ontology 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one 464.37630 C21H20O12 Hyperin Hyperoside InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O OVSQVDMCBVZWGM-DTGCRPNFSA-N Quercetin 3-galactoside quercetin 3-O-galactoside CHEBI:67486 quercetin 3-O-beta-D-galactopyranoside CHEBI:67486 A steroid saponin that is sitosterol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa. CAS:474-58-8 KEGG:D05848 MetaCyc:CPD-11608 PMID:23337296 PMID:23668009 PMID:24010320 PMID:24228585 PMID:7246155 Reaxys:100108 Wikipedia:Daucosterol (3beta)-stigmast-5-en-3-yl beta-D-glucopyranoside chebi_ontology 3-beta-(beta-D-glucopyranosyloxy)stigmast-5-ene 576.84730 BSSG C35H60O6 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 NPJICTMALKLTFW-OFUAXYCQSA-N alexandrin beta-daucosterol beta-sitosterol 3-O-beta-D-glucopyranoside beta-sitosteryl-beta-D-glucopyranoside coriandrinol daucosterin eleutheroside A lyoniside sitogluside sitoglusidum sterolin CHEBI:67554 daucosterol CHEBI:67554 A diterpenoid that has formula C33H45NO11. CAS:2752-64-9 KEGG:C08698 KNApSAcK:C00001654 KNApSAcK:C00028576 Mesaconitine chebi_ontology 631.712 C33H45NO11 COC[C@]12CN(C)C3[C@@H]4[C@H](OC)[C@H]1[C@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1 XUHJBXVYNBQQBD-TUWOXVOMSA-N CHEBI:6773 Mesaconitine CHEBI:6773 A triterpenoid that has formula C30H50O2. CAS:545-46-0 PMID:21443171 chebi_ontology (3beta)-Urs-12-ene-3,28-diol 442.71680 C30H50O2 InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 XUARCIYIVXVTAE-ZAPOICBTSA-N [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(CO)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C CHEBI:67894 uvaol CHEBI:67894 A pentacyclic triterpenoid that is beta-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species. AGR:IND21806547 AGR:IND43745334 CAS:545-48-2 HMDB:HMDB02360 KNApSAcK:C00019065 MetaCyc:CPD-14499 PMID:15522132 PMID:18384095 PMID:21443171 PMID:23587059 Reaxys:2340203 erythrodiol olean-12-ene-3beta,28-diol chebi_ontology (3beta)-olean-12-ene-3,28-diol 3beta,28-dihydroxy-ole-12-ene 3beta-erythrodiol 442.71680 C30H50O2 CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1 PSZDOEIIIJFCFE-OSQDELBUSA-N oleanolic alcohol CHEBI:67939 erythrodiol CHEBI:67939 A pentacyclic triterpenoid that is olean-18-ene substituted by an acetyloxy group at position 3 and a carboxy group at position 28. It has been isolated from Juglans sinensis. PMID:21309591 Reaxys:3180462 3beta-(acetyloxy)olean-18-en-28-oic acid chebi_ontology 498.73700 ATCLOZHDTYBRBI-MGIFRHGRSA-N C32H50O4 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h19,21,23-25H,9-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,29+,30-,31-,32+/m1/s1 CHEBI:67949 3beta-acetoxyolean-18-en-28-oic acid CHEBI:67949 A pentacyclic triterpenoid that is urs-12-ene substituted by an oxo group at position 3, a carboxy group at position 28 and a hydroxy group at position 23. It has been isolated from Juglans sinensis. PMID:21309591 Reaxys:6988922 23-hydroxy-3-oxours-12-en-28-oic acid chebi_ontology 470.68380 C30H46O4 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1 RWFVBIQKMCLKMM-CARKBDGISA-N CHEBI:67951 3-oxo-23-hydroxyurs-12-en-28-oic acid CHEBI:67951 A triterpenoid that has formula C30H48O3. PMID:21469696 chebi_ontology (3alpha)-3-hydroxyolean-12-en-28-oic acid 456.70030 C30H48O3 InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1 MIJYXULNPSFWEK-KDQGZELNSA-N [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O CHEBI:68103 3-epioleanolic acid CHEBI:68103 A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomaer). It is isolated from Acacia mearnsii. CAS:1617-55-6 CAS:970-73-0 KEGG:C12127 KNApSAcK:C00008817 PMID:21192716 Reaxys:8867302 Wikipedia:Gallocatechol (2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol 306.26750 C15H14O7 Gallocatechol InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 XMOCLSLCDHWDHP-SWLSCSKDSA-N gallocatechol rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol CHEBI:68330 gallocatechin CHEBI:68330 Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. Wikipedia:Azole chebi_ontology azoles CHEBI:68452 azole CHEBI:68452 Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms. chebi_ontology Type I cell-death inhibitor Type I cell-death inhibitors Type I programmed cell-death inhibitor Type I programmed cell-death inhibitors apoptosis inhibitors CHEBI:68494 apoptosis inhibitor CHEBI:68494 Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. chebi_ontology Type I cell-death inducer Type I cell-death inducers Type I programmed cell-death inducer Type I programmed cell-death inducers apoptosis inducers CHEBI:68495 apoptosis inducer CHEBI:68495 An polyanionic polymer obtained by global deprotonation of the carboxy groups of pectin. KEGG:C00470 KEGG:G10506 MetaCyc:PECTATE pectate chebi_ontology (1,4-alpha-D-Galacturonide)n (1,4-alpha-D-Galacturonosyl)n (C6H7O6)nH2O De-esterified pectin Pectic acid Poly(1,4-alpha-D-galacturonate) Poly(1,4-alpha-D-galacturonate)(n) Poly[1,4-alpha-D-galacturonide(1 )] alpha-D-Polygalacturonic acid pectate polyanion CHEBI:68837 pectate CHEBI:68837 A member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. CAS:10597-60-1 LINCS:LSM-36968 PMID:22014120 PMID:22924436 PMID:23017390 PMID:23244583 Reaxys:2208118 Wikipedia:Hydroxytyrosol 4-(2-hydroxyethyl)benzene-1,2-diol chebi_ontology 154.16320 3,4-dihydroxyphenylethanol C8H10O3 InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 JUUBCHWRXWPFFH-UHFFFAOYSA-N OCCc1ccc(O)c(O)c1 dopet CHEBI:68889 hydroxytyrosol CHEBI:68889 A lignan that has formula C27H34O12. CAS:33464-71-0 PMID:22060189 chebi_ontology 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-3-hydroxy-, (3S-cis)- 550.55170 C27H34O12 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1 LWYAMIUSVGPFKS-CGLYQLBNSA-N CHEBI:68939 Tracheloside CHEBI:68939 An isoquinoline alkaloid that has formula C20H21NO4. CAS:2565-01-7 PMID:22029392 chebi_ontology (6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline 339.38500 6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)- C20H21NO4 Domestine InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1 WSVWKHTVFGTTKJ-AWEZNQCLSA-N [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)cc(CCN1C)c23 o-Methyldomesticine CHEBI:68992 nantenine CHEBI:68992 A fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis. CAS:112-63-0 PMID:22148193 Reaxys:1727614 methyl (9Z,12Z)-octadeca-9,12-dienoate chebi_ontology 1-O-methyl (9Z,12Z)-octadecadienoate 294.47210 C19H34O2 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10- Methyl 9-cis,12-cis-octadecadienoate WTTJVINHCBCLGX-NQLNTKRDSA-N linoleic acid methyl ester CHEBI:69080 methyl linoleate CHEBI:69080 A fatty acid methyl ester that has formula C17H34O2. CAS:112-39-0 ChemIDplus:0000112390 HMDB:HMDB61859 KEGG:C16995 PMID:118159 PMID:12143008 PMID:12872920 PMID:12939035 PMID:13018208 PMID:13827622 PMID:1707612 PMID:21240761 PMID:22148193 PMID:24421258 PMID:3833822 PMID:8130610 Methyl palmitate methyl hexadecanoate chebi_ontology 270.45070 C17H34O2 CCCCCCCCCCCCCCCC(=O)OC FLIACVVOZYBSBS-UHFFFAOYSA-N Hexadecanoate methyl ester Hexadecanoic acid methyl ester InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3 Methyl hexadecanoate Methyl palmitic acid CHEBI:69187 Methyl palmitate CHEBI:69187 An ergostanoid that is (22E)-ergosta-4,6,8(14),22-tetraene substituted by an oxo group at position 3. It has been isolated from the mycelia of Cordyceps sinensis. CHEBI:68084 CAS:19254-69-4 PMID:21043476 PMID:21226488 PMID:21428374 PMID:21848266 Reaxys:3223568 (22E)-ergosta-4,6,8(14),22-tetraen-3-one chebi_ontology 24-methylcholesta-4,6,8(14),22-tetraen-3-one 392.61660 C28H40O CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1 OIMXTYUHMBQQJM-HSVWHVBGSA-N CHEBI:69431 ergosta-4,6,8(14),22-tetraen-3-one CHEBI:69431 A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3-methoxyphenyl group at position 8. It has been isolated from the roots of Rubia yunnanensis. CAS:548-29-8 PMID:21138310 PMID:21973054 Reaxys:2019804 (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol chebi_ontology 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol 360.40100 C20H24O6 COc1cc(ccc1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)cc12 InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1 OGFXBIXJCWAUCH-KPHUOKFYSA-N CHEBI:69542 (+)-isolariciresinol CHEBI:69542 A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer). CAS:465-99-6 MetaCyc:CPD-9481 PMID:22005599 PMID:23530040 Patent:CN101564405 Patent:CN102633857 Patent:CN102697791 Reaxys:2711855 Wikipedia:Hederagenin (3beta)-3,23-dihydroxyolean-12-en-28-oic acid chebi_ontology 472.69970 Astrantiagenin E C30H48O4 Caulosapogenin Hederagenic acid Hederagenol InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 PGOYMURMZNDHNS-MYPRUECHSA-N [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O CHEBI:69579 hederagenin CHEBI:69579 A methoxybenzene that has formula C9H10O3. CHEBI:7890 CAS:552-41-0 KEGG:C10712 KNApSAcK:C00002704 LINCS:LSM-24937 PMID:21954959 Paeonol chebi_ontology 1-(2-Hydroxy-4-methoxyphenyl)ethanone 166.17390 4-O-Methylresacetophenone C9H10O3 COc1ccc(C(C)=O)c(O)c1 InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3 UILPJVPSNHJFIK-UHFFFAOYSA-N CHEBI:69581 Paeonol CHEBI:69581 A benzoate ester that has formula C17H18O6. CAS:80454-42-8 PMID:21954959 chebi_ontology 318.32120 BANPEMKDTXIFRE-LQPBRMSDSA-N C17H18O6 InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1 [H][C@]12O[C@@]3(C)CC(=O)[C@]([H])(C[C@@]3(O)O1)[C@H]2COC(=O)c1ccccc1 CHEBI:69582 Paeoniflorigenone CHEBI:69582 A terpene glycoside that has formula C30H32O12. PMID:21954959 chebi_ontology 584.56790 C30H32O12 InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1 LATYEZNGPQKAIK-HRCYFWENSA-N [H][C@]1(O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]12C[C@@]3([H])[C@@]4(O)C[C@]1(C)O[C@]([H])(O4)[C@@]23COC(=O)c1ccccc1 CHEBI:69583 Benzoylpaeoniflorin CHEBI:69583 A 16-oxo steroid that has formula C22H30O4. CAS:139954-00-0 PMID:21954959 chebi_ontology 18-Norandrosta-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,14-tetramethyl-, (3beta,5alpha)- 358.47120 C22H30O4 InChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1 KIAKLFLISZCITK-PPAUHQMUSA-N [H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C(O)C(=O)C(=O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C CHEBI:69584 Palbinone CHEBI:69584 A kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme. CAS:17650-84-9 PMID:21962208 PMID:22677447 PMID:23912804 PMID:24123927 PMID:24128471 Reaxys:74581 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chebi_ontology 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 594.51810 C27H30O15 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 Kaempferol-3-O-beta-rutinoside RTATXGUCZHCSNG-QHWHWDPRSA-N kaempferol 3-O-(6''-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside nicotiflorin CHEBI:69657 kaempferol-3-rutinoside CHEBI:69657 A lignan that has formula C22H28O5. CAS:19950-55-1 KEGG:C10892 KNApSAcK:C00002633 PMID:21936523 chebi_ontology (2R,3S,4S,5S)-2,5-Bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran 372.45470 C22H28O5 COc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1 InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1 JLJAVUZBHSLLJL-GKHNXXNSSA-N CHEBI:69669 Veraguensin CHEBI:69669 A lignan that has formula C23H30O6. PMID:21936523 chebi_ontology 402.48070 C23H30O6 COc1ccc(cc1OC)[C@H]1O[C@@H]([C@@H](C)[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 FUFHSLKNBJRCDG-WJWAULOUSA-N InChI=1S/C23H30O6/c1-13-14(2)22(16-11-19(26-5)23(28-7)20(12-16)27-6)29-21(13)15-8-9-17(24-3)18(10-15)25-4/h8-14,21-22H,1-7H3/t13-,14-,21-,22-/m0/s1 CHEBI:69670 5-Methoxygalbelgin CHEBI:69670 A fatty amide that has formula C14H25NO. CAS:18836-52-7 PMID:21158422 PMID:21973101 (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide chebi_ontology (2E,4E)-N-isobutyl-2,4-decadienamide 223.35440 C14H25NO CCCCC\C=C\C=C\C(=O)NCC(C)C InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+ MAGQQZHFHJDIRE-BNFZFUHLSA-N trans-Pellitorin CHEBI:69686 pellitorine CHEBI:69686 A terpene lactone that has formula C38H47NO18. CAS:33458-82-1 PMID:21634414 chebi_ontology (1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25R)-20-(Acetoxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0[1,20].0[3,23].0[7,12]]pentacosa-7,9,11-trien e-18,19,21,22,24-pentayl pentaacetate 805.77570 C38H47NO18 InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16-,17-,25+,27+,28-,29+,30-,31+,32-,35-,36-,37-,38-/m0/s1 PBFGAFDJVQAMRS-MNPNNVDDSA-N [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O CHEBI:69763 Euonymine CHEBI:69763 A benzofuran that has formula C11H16O3. CAS:5989-02-6 PMID:21634415 chebi_ontology (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one 196.24290 C11H16O3 CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12 InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1 XEVQXKKKAVVSMW-WRWORJQWSA-N CHEBI:69774 loliolide CHEBI:69774 A botanical anti-fungal agent that has formula C15H16O3. CAS:484-12-8 KEGG:C09280 KNApSAcK:C00002488 LINCS:LSM-3762 PMID:21627108 chebi_ontology 244.28570 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- C15H16O3 COc1ccc2ccc(=O)oc2c1CC=C(C)C Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)- InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 MBRLOUHOWLUMFF-UHFFFAOYSA-N CHEBI:69832 osthole CHEBI:69832 A sesquiterpenoid that has formula C15H26O2. PMID:21561060 chebi_ontology (1R,3aR,4R,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol 238.36570 C15H26O2 InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1 UACKNRNYUIAHPT-BHPKHCPMSA-N [H][C@@]12[C@H](CC[C@@]1(C)[C@H](O)CCC2=C)CC(C)(C)O CHEBI:69848 oppsit-4(15)-ene-1beta,11-diol CHEBI:69848 An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. CAS:62596-29-6 HMDB:HMDB36631 KEGG:C10106 KNApSAcK:C00001070 PMID:25237377 PMID:25476160 PMID:25628938 Reaxys:1442330 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one chebi_ontology 420.45450 C25H24O6 CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 XFFOMNJIDRDDLQ-UHFFFAOYSA-N CHEBI:7005 morusin CHEBI:7005 A catechin that has formula C16H16O7. PMID:21080642 chebi_ontology (2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 320.29400 C16H16O7 COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O ITDYPNOEEHONAH-UKRRQHHQSA-N InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15-/m1/s1 Ourateacatechin CHEBI:70253 4'-O-methylepigallocatechin CHEBI:70253 A triterpenoid that has formula C30H48O5. chebi_ontology (2alpha,3beta)-2,3,19-Trihydroxyurs-12-en-28-oic acid 488.69910 C30H48O5 InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1 OXVUXGFZHDKYLS-BLIWDXROSA-N [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C CHEBI:70682 Tormentic acid CHEBI:70682 An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA). Wikipedia:Topoisomerase chebi_ontology topoisomerase inhibitors CHEBI:70727 topoisomerase inhibitor CHEBI:70727 An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. chebi_ontology antileishmanial agents antileishmanial drug antileishmanial drugs CHEBI:70868 antileishmanial agent CHEBI:70868 A triterpenoid that consists of a hexacyclic ring system. chebi_ontology hexacyclic triterpenoids CHEBI:70994 hexacyclic triterpenoid CHEBI:70994 Any flavonoid with one or more rings fused on to the phenyl substituted benzopyran framework. chebi_ontology extended flavonoids CHEBI:71037 extended flavonoid CHEBI:71037 A hydroxyflavan that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group. chebi_ontology 306.26750 C15H14O7 InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2 OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1 XMOCLSLCDHWDHP-UHFFFAOYSA-N CHEBI:71224 flavan-3,3',4',5,5',7-hexol CHEBI:71224 A flavan-3,3',4',5,5',7-hexol that has (2S,3S)-configuration. (2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol (+)-cis-3,3',4',5,5',7-hexahydroxyflavane (+)-epi-gallocatechin (2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (2S,3S)-flavan-3,3',4',5,5',7-hexol (2S,3S)-flavan-3,5,7,3',4',5'-hexol 306.26750 C15H14O7 InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 XMOCLSLCDHWDHP-WFASDCNBSA-N CHEBI:71227 (+)-epigallocatechin CHEBI:71227 An enzyme inhibitor that inhibits the action of a transferase (EC 2.*) Wikipedia:Transferase chebi_ontology EC 2 inhibitor EC 2 inhibitors EC 2.* (transferase) inhibitors EC 2.* inhibitor EC 2.* inhibitors transferase inhibitor transferase inhibitors CHEBI:71300 EC 2.* (transferase) inhibitor CHEBI:71300 A long-chain unsaturated fatty acid anion that is the conjugate base of hexadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. hexadec-9-enoate chebi_ontology 253.40030 9-hexadecenoate 9-hexadecenoate(1-) C16H29O2 InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/p-1 SECPZKHBENQXJG-UHFFFAOYSA-M [H]C(CCCCCC)=C([H])CCCCCCCC([O-])=O hexadec-9-enoate(1-) CHEBI:71449 hexadec-9-enoate CHEBI:71449 An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of fatty acid synthase (EC 2.3.1.85), a multi-enzyme protein involved in fatty acid synthesis. Wikipedia:Fatty-acid_synthase chebi_ontology (FAS) inhibitors EC 2.3.1.85 (fatty acid synthase) inhibitors EC 2.3.1.85 inhibitor EC 2.3.1.85 inhibitors acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitor acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitors fatty acid synthase (EC 2.3.1.85) inhibitor fatty acid synthase (EC 2.3.1.85) inhibitors fatty acid synthase inhibitor fatty acid synthase inhibitors CHEBI:71476 EC 2.3.1.85 (fatty acid synthase) inhibitor CHEBI:71476 A eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer). PMID:16901807 Reaxys:1423249 (3R,5aS,9R,9aS)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine chebi_ontology 222.36630 C15H26O HVAVUZLEYSAYGE-UXOAXIEHSA-N InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1 [H][C@@]12CC[C@]3(C)CCC[C@@H](C)[C@]3(C1)OC2(C)C dihydro-beta-agarofuran CHEBI:71547 dihydroagarofuran CHEBI:71547 Any sesquiterpenoid with a dihydroagarofuran skeleton. PMID:17898902 chebi_ontology dihydroagarofuran sesquiterpenoids CHEBI:71548 dihydroagarofuran sesquiterpenoid CHEBI:71548 A triterpene that is docosahydropicene substituted by 8 methyl groups at positions 2, 2, 4a, 6a, 8a, 9, 12b and 14a. PMID:22224263 Reaxys:2055185 (4aR,6aR,6bS,8aR,9S,12aR,12bS,14aS,14bR)-2,2,4a,6a,8a,9,12b,14a-octamethyldocosahydropicene chebi_ontology 412.73390 C30H52 InChI=1S/C30H52/c1-21-10-9-11-22-27(21,5)13-12-23-28(22,6)17-19-30(8)24-20-25(2,3)14-15-26(24,4)16-18-29(23,30)7/h21-24H,9-20H2,1-8H3/t21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 KVSNMTUIMXZPLU-XOZXFAFYSA-N [H][C@@]12CCC[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C CHEBI:71575 friedelane CHEBI:71575 An amino-acid anion in which the amino group is situated gamma- to the carboxylate group. chebi_ontology gamma-amino acid anions CHEBI:71666 gamma-amino acid anion CHEBI:71666 A hexadecenoic acid in which the double bond is located at position 9. Reaxys:1781015 hexadec-9-enoic acid chebi_ontology 16:1 omega-7 254.40820 9-hexadecenoic acid C16H30O2 InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18) SECPZKHBENQXJG-UHFFFAOYSA-N [H]C(CCCCCC)=C([H])CCCCCCCC(O)=O CHEBI:72004 hexadec-9-enoic acid CHEBI:72004 A member of the class of flavans in which one or more ring hydrogens are replaced by hydroxy groups. CHEBI:24036 chebi_ontology flavanols hydroxyflavans CHEBI:72010 hydroxyflavan CHEBI:72010 A hydroxypiperidine that has three hydroxy groups located at positions 3, 4 and 5 as well as a hydroxymethyl substituent at position 2. chebi_ontology 2-(hydroxymethyl)piperidine-3,4,5-triols CHEBI:72490 2-(hydroxymethyl)piperidine-3,4,5-triol CHEBI:72490 Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them. Wikipedia:Flavonoids chebi_ontology flavonoid CHEBI:72544 flavonoids CHEBI:72544 Any molecule that consists of at least one carbon atom as part of the electrically neutral entity. chebi_ontology organic molecules CHEBI:72695 organic molecule CHEBI:72695 A phenylpropanoid obtained by the coupling of two or more units of aryl-substituted benzopyran units and their substituted derivatives. chebi_ontology flavonoid oligomers CHEBI:72720 flavonoid oligomer CHEBI:72720 A member of the class of flavanones having one or more glycosyl residues attached at unspecified positions. chebi_ontology flavanone glycosides CHEBI:72730 flavanone glycoside CHEBI:72730 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of carbonyl reductase (NADPH), EC 1.1.1.184. Wikipedia:Carbonyl_reductase_(NADPH) chebi_ontology ALR3 inhibitor ALR3 inhibitors EC 1.1.1.184 (carbonyl reductase (NADPH)) inhibitor EC 1.1.1.184 (carbonyl reductase (NADPH)) inhibitors EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitors EC 1.1.1.184 inhibitor EC 1.1.1.184 inhibitors NADPH2-dependent carbonyl reductase inhibitor NADPH2-dependent carbonyl reductase inhibitors aldehyde reductase 1 inhibitor aldehyde reductase 1 inhibitors carbonyl reductase (NADPH) (EC 1.1.1.184) inhibitor carbonyl reductase (NADPH) (EC 1.1.1.184) inhibitors carbonyl reductase (NADPH) inhibitor carbonyl reductase (NADPH) inhibitors carbonyl reductase (NADPH2) inhibitor carbonyl reductase (NADPH2) inhibitors carbonyl reductase inhibitor carbonyl reductase inhibitors nonspecific NADPH-dependent carbonyl reductase inhibitor nonspecific NADPH-dependent carbonyl reductase inhibitors prostaglandin 9-ketoreductase inhibitor prostaglandin 9-ketoreductase inhibitors secondary-alcohol:NADP+ oxidoreductase inhibitor secondary-alcohol:NADP+ oxidoreductase inhibitors xenobiotic ketone reductase inhibitor xenobiotic ketone reductase inhibitors CHEBI:73136 EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor CHEBI:73136 An EC 1.11.1.* (peroxidases) inhibitor that inhibits the action of L-ascorbate peroxidase (EC 1.11.1.11). Wikipedia:L-ascorbate_peroxidase EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors chebi_ontology EC 1.11.1.11 inhibitor EC 1.11.1.11 inhibitors L-ascorbate peroxidase (EC 1.11.1.11) inhibitor L-ascorbate peroxidase (EC 1.11.1.11) inhibitors L-ascorbate peroxidase inhibitor L-ascorbate peroxidase inhibitors L-ascorbate:hydrogen-peroxide oxidoreductase inhibitor L-ascorbate:hydrogen-peroxide oxidoreductase inhibitors L-ascorbic acid peroxidase inhibitor L-ascorbic acid peroxidase inhibitors L-ascorbic acid-specific peroxidase inhibitor L-ascorbic acid-specific peroxidase inhibitors ascorbate peroxidase inhibitor ascorbate peroxidase inhibitors ascorbic acid peroxidase inhibitor ascorbic acid peroxidase inhibitors CHEBI:73181 EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors CHEBI:73181 Any hydrolase inhibitor that interferes with the action of a hydrolase which acts on acid anhydrides (EC 3.6.*.*). CHEBI:76765 chebi_ontology EC 3.6 inhibitor EC 3.6 inhibitors EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors EC 3.6.* inhibitor EC 3.6.* inhibitors EC 3.6.*.* inhibitor EC 3.6.*.* inhibitors acid anhydride hydrolase inhibitor acid anhydride hydrolase inhibitors inhibitor of hydrolase acting on acid anhydride (EC 3.6.*) inhibitors of hydrolase acting on acid anhydride (EC 3.6.*) CHEBI:73216 EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor CHEBI:73216 An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. Wikipedia:NF-%CE%BAB chebi_ontology NF-kappaB inhibitors nuclear factor kappa-light-chain-enhancer of activated B cells inhibitor nuclear factor kappa-light-chain-enhancer of activated B cells inhibitors CHEBI:73240 NF-kappaB inhibitor CHEBI:73240 An aldehyde of general formula R-CH2-CH=O in which the aldehydic C=O function is attached to a CH2 group at the alpha-position. CHEBI:77661 chebi_ontology 43.04460 C2H3OR [*]CC=O a 2,3-saturated aldehyde alpha-CH2-containing aldehydes alpha-methylene aldehyde alpha-methylene aldehydes CHEBI:73359 alpha-CH2-containing aldehyde CHEBI:73359 A mancude heterobicyclic organic group consisting of a benzene ring fused to a pyrrole ring. chebi_ontology 110.09230 C8N CHEBI:73398 indole skeleton CHEBI:73398 A bicyclic organic group that contains both carbon and hetero atoms. chebi_ontology organic heterobicyclic rings CHEBI:73541 organic heterobicyclic ring CHEBI:73541 A disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond. CAS:17074-02-1 HMDB:HMDB29523 KEGG:C08244 KNApSAcK:C00001143 PMID:22484948 PMID:23221119 Reaxys:1290802 Wikipedia:Neohesperidose 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose chebi_ontology 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 326.29710 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose C12H22O10 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1 Neohesperidose VSRVRBXGIRFARR-OUEGHFHCSA-N alpha-L-Rhap-(1->2)-beta-D-Glcp CHEBI:73992 alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose CHEBI:73992 An organic anion that is the conjugate base of genistein, obtained by selective deprotonation of the 7-hydroxy group. MetaCyc:CPD-3141 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate chebi_ontology 269.22900 C15H9O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/p-1 Oc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O TZBJGXHYKVUXJN-UHFFFAOYSA-M genistein CHEBI:74224 genistein(1-) CHEBI:74224 Any substance which is used to reduce or control weight. Wikipedia:Anti-obesity chebi_ontology anti-obesity agents anti-obestic agent anti-obestic agents CHEBI:74518 anti-obesity agent CHEBI:74518 A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. Wikipedia:Astringent chebi_ontology adstringent adstringents astringents CHEBI:74783 astringent CHEBI:74783 A trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7. CHEBI:5753 CAS:446-71-9 KEGG:C09756 KNApSAcK:C00000969 LIPID_MAPS_instance:LMPK12140449 MetaCyc:CPD-7071 PMID:21384439 PMID:22150672 PMID:23906843 Reaxys:1294930 Wikipedia:Homoeriodictyol (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology (-)-Homoeriodictyol (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone 302.27880 5,7,4'-Trihydroxy-3'-methoxyflavanone C16H14O6 COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 Eriodictyol 3'-methyl ether Eriodictyonone FTODBIPDTXRIGS-ZDUSSCGKSA-N InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1 CHEBI:74960 homoeriodictyol CHEBI:74960 A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. CHEBI:6998 CAS:480-16-0 HMDB:HMDB30796 KEGG:C10105 KNApSAcK:C00004624 LINCS:LSM-36988 LIPID_MAPS_instance:LMPK12112517 PMID:15516722 PMID:16806951 PMID:18629640 PMID:19539802 PMID:19774509 PMID:22740350 PMID:23030699 PMID:23254912 PMID:23279849 PMID:23352912 PMID:23384060 PMID:23432089 PMID:23590821 PMID:23757948 PMID:23952478 Reaxys:327474 Wikipedia:Morin_(flavonol) 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one chebi_ontology 2',3,4',5,7-Pentahydroxyflavone 2',4',3,5,7-Pentahydroxyflavone 2',4',5,7-Tetrahydroxyflavan-3-ol 2',4',5,7-Tetrahydroxyflavonol 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 3,5,7,2',4'-Pentahydroxyflavone 302.23570 C.I.Natural Yellow 8 C15H10O7 InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O YXOLAZRVSSWPPT-UHFFFAOYSA-N CHEBI:75092 morin CHEBI:75092 CAS:7212-44-4 chebi_ontology C15H26O CHEBI:7524 nerolidol CHEBI:7524 An EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor that interferes with the action of any of the peroxidases (EC 1.11.1.*). Wikipedia:Peroxidases chebi_ontology EC 1.11.1 inhibitor EC 1.11.1 inhibitors EC 1.11.1.* (peroxidase) inhibitor EC 1.11.1.* (peroxidase) inhibitors EC 1.11.1.* (peroxidases) inhibitors EC 1.11.1.* inhibitor EC 1.11.1.* inhibitors inhibitor of peroxidases inhibitors of peroxidases peroxidases inhibitors CHEBI:75381 EC 1.11.1.* (peroxidases) inhibitor CHEBI:75381 An enzyme inhibitor that inhibits the action of an isomerase (EC 5.*.*.*). chebi_ontology EC 5.* (isomerase) inhibitors EC 5.* inhibitor EC 5.* inhibitors EC 5.*.*.* inhibitor EC 5.*.*.* inhibitors isomerase (EC 5.*) inhibitor isomerase (EC 5.*) inhibitors isomerase inhibitor isomerase inhibitors CHEBI:75596 EC 5.* (isomerase) inhibitor CHEBI:75596 Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate. Wikipedia:Ligase chebi_ontology EC 6.* (ligase) inhibitors EC 6.* inhibitor EC 6.* inhibitors EC 6.*.*.* inhibitor EC 6.*.*.* inhibitors ligase inhibitor ligase inhibitors CHEBI:75603 EC 6.* (ligase) inhibitor CHEBI:75603 A ligase inhibitor that interferes with the action of a C-C bond-forming ligase (EC 6.4.*.*). chebi_ontology C--C bond-forming ligase inhibitor C--C bond-forming ligase inhibitors C-C bond-forming ligase (EC 6.4.*) inhibitor C-C bond-forming ligase (EC 6.4.*) inhibitorS C-C bond-forming ligase inhibitor C-C bond-forming ligase inhibitors EC 6.4.* (C-C bond-forming ligase) inhibitorS EC 6.4.* inhibitor EC 6.4.* inhibitors EC 6.4.*.* inhibitor EC 6.4.*.* inhibitors CHEBI:75604 EC 6.4.* (C-C bond-forming ligase) inhibitor CHEBI:75604 A proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 8' in alpha-configuration. It can be found in red wine, in barley, in beer, in peach or in Jatropha macrantha, the Huanarpo Macho. CAS:23567-23-9 HMDB:HMDB33974 KEGG:C10209 LIPID_MAPS_instance:LMPK12030003 PMID:20131846 PMID:20568787 PMID:20955177 PMID:21950419 PMID:22629448 PMID:22744145 PMID:22747497 PMID:22783976 PMID:22868163 PMID:23131027 PMID:23411286 PMID:23829187 PMID:23971434 Patent:KR20100129858 Patent:WO2010021935 Reaxys:3586582 Wikipedia:Procyanidin_B3 (2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol chebi_ontology 578.52020 C-(4a,8)-C C30H26O12 Catechin(4a->8)catechin Catechin-(4alpha->8)-catechin InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1 O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 Proanthocyanidin B3 XFZJEEAOWLFHDH-AVFWISQGSA-N CHEBI:75630 procyanidin B3 CHEBI:75630 A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. CAS:29106-49-8 HMDB:HMDB33973 KEGG:C17639 LIPID_MAPS_instance:LMPK12030002 PMID:22042007 PMID:23250807 PMID:23285083 PMID:23360097 PMID:23460126 PMID:23472464 PMID:23474305 PMID:23811048 PMID:23922881 PMID:23985492 PMID:24136906 Reaxys:1279736 Wikipedia:Procyanidin_B2 (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol chebi_ontology 578.52020 C30H26O12 EC-(4b,8)-EC Epicathechin-(4beta->8)-epicathechin InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 Proanthocyanidin B2 Procyanidol B2 XFZJEEAOWLFHDH-NFJBMHMQSA-N CHEBI:75632 procyanidin B2 CHEBI:75632 Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms. chebi_ontology eukaryotic metabolites CHEBI:75763 eukaryotic metabolite CHEBI:75763 Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. CHEBI:77721 CHEBI:77743 chebi_ontology animal metabolites CHEBI:75767 animal metabolite CHEBI:75767 Any animal metabolite produced during a metabolic reaction in mammals. CHEBI:77464 CHEBI:77744 chebi_ontology mammalian metabolites CHEBI:75768 mammalian metabolite CHEBI:75768 Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.) PMID:22743781 PMID:23093174 PMID:23238962 PMID:23449527 PMID:23462586 PMID:23690582 Wikipedia:B_vitamin chebi_ontology B vitamins B-group vitamin B-group vitamins vitamin B CHEBI:75769 B vitamin CHEBI:75769 Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). chebi_ontology Mus musculus metabolite Mus musculus metabolites mouse metabolites CHEBI:75771 mouse metabolite CHEBI:75771 Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae). CHEBI:76949 CHEBI:76951 chebi_ontology S. cerevisiae metabolite S. cerevisiae metabolites S. cerevisiae secondary metabolite S. cerevisiae secondary metabolites Saccharomyces cerevisiae metabolites Saccharomyces cerevisiae secondary metabolites baker's yeast metabolite baker's yeast metabolites baker's yeast secondary metabolite baker's yeast secondary metabolites CHEBI:75772 Saccharomyces cerevisiae metabolite CHEBI:75772 Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea. chebi_ontology prokaryotic metabolites CHEBI:75787 prokaryotic metabolite CHEBI:75787 A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. CAS:478-01-3 HMDB:HMDB29540 KEGG:C10112 KNApSAcK:C00001076 LINCS:LSM-2130 LIPID_MAPS_instance:LMPK12111468 PMID:25488359 PMID:25845666 Reaxys:360887 Wikipedia:Nobiletin 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one chebi_ontology 402.39460 5,6,7,8,3',4'-Hexamethoxyflavone C21H22O8 COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1 Hexamethoxyflavone InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3 MRIAQLRQZPPODS-UHFFFAOYSA-N CHEBI:7602 nobiletin CHEBI:7602 A very long-chain fatty acid anion that is the conjugate base of lacceroic acid, obtained by deprotonation of the carboxy group. MetaCyc:CPD-8463 dotriacontanoate chebi_ontology 479.84140 C32H63O2 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O ICAIHSUWWZJGHD-UHFFFAOYSA-M InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)/p-1 dotriacontanoate dotriacontanoate(1-) lacceroate(1-) CHEBI:76024 lacceroate CHEBI:76024 An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid. MetaCyc:Aromatic-Amino-Acids chebi_ontology C2H4NO2R [NH3+]C([*])C([O-])=O an aromatic amino-acid aromatic amino-acid zwitterions CHEBI:76042 aromatic amino-acid zwitterion CHEBI:76042 A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). CAS:35323-91-2 KEGG:C09728 KNApSAcK:C00000957 PMID:15568761 Reaxys:3655328 (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol (2S,3S)-3,3',4',5,7-pentahydroxyflavan 290.26810 C15H14O6 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 PFTAWBLQPZVEMU-ZFWWWQNUSA-N ent-Epicatechin CHEBI:76125 (+)-epicatechin CHEBI:76125 Any metabolite produced by metabolism of a xenobiotic compound. chebi_ontology xenobiotic metabolites CHEBI:76206 xenobiotic metabolite CHEBI:76206 A straight-chain saturated fatty acid that is dotriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. CAS:3625-52-3 LIPID_MAPS_instance:LMFA01010032 MetaCyc:CPD-8463 Reaxys:1715878 Wikipedia:Lacceroic_acid dotriacontanoic acid chebi_ontology 480.84940 C32:0 C32H64O2 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O ICAIHSUWWZJGHD-UHFFFAOYSA-N InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34) Lacceric acid CHEBI:76215 lacceroic acid CHEBI:76215 An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the function of histone acetyltransferase (EC 2.3.1.48). Wikipedia:Histone_acetyltransferase chebi_ontology EC 2.3.1.48 (histone acetyltransferase) inhibitors EC 2.3.1.48 inhibitor EC 2.3.1.48 inhibitors HAT inhibitor HAT inhibitors acetyl-CoA:histone acetyltransferase inhibitor acetyl-CoA:histone acetyltransferase inhibitors histone acetokinase inhibitor histone acetokinase inhibitors histone acetylase inhibitor histone acetylase inhibitors histone acetyltransferase (EC 2.3.1.48) inhibitor histone acetyltransferase (EC 2.3.1.48) inhibitors histone acetyltransferase inhibitor histone acetyltransferase inhibitors histone transacetylase inhibitor histone transacetylase inhibitors nucleosome-histone acetyltransferase inhibitor nucleosome-histone acetyltransferase inhibitors CHEBI:76395 EC 2.3.1.48 (histone acetyltransferase) inhibitor CHEBI:76395 A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans. PMID:22519407 PMID:24001847 chebi_ontology propellants CHEBI:76414 propellant CHEBI:76414 Any glycosyloxyflavone that is an O-glycosylated derivative of quercetin. chebi_ontology quercetin O-glycosides CHEBI:76424 quercetin O-glycoside CHEBI:76424 Any unsaturated fatty acid anion containing more than one C-C unsaturated bond. Major species at pH 7.3. chebi_ontology PUFA polyunsaturated fatty acid anions CHEBI:76567 polyunsaturated fatty acid anion CHEBI:76567 A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*). chebi_ontology C1-transferase (EC 2.1.*) inhibitor C1-transferase (EC 2.1.*) inhibitors C1-transferase inhibitor C1-transferase inhibitors EC 2.1.* (C1-transferase) inhibitors EC 2.1.* inhibitor EC 2.1.* inhibitors one-carbon-containing group transferase inhibitor one-carbon-containing group transferase inhibitors CHEBI:76655 EC 2.1.* (C1-transferase) inhibitor CHEBI:76655 A transferase inhibitor that interferes with the action of an acyltransferase (EC 2.3.*.*). chebi_ontology EC 2.3.* (acyltransferase) inhibitors EC 2.3.* inhibitor EC 2.3.* inhibitors acyltransferase inhibitor acyltransferase inhibitors CHEBI:76661 EC 2.3.* (acyltransferase) inhibitor CHEBI:76661 A transferase inhibitor that inhibits the transfer of an alkyl (other than methyl) or aryl group (EC 2.5.1.*). chebi_ontology EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors EC 2.5.1.* inhibitor EC 2.5.1.* inhibitors alkyl/aryl (non-methyl) transferase inhibitor alkyl/aryl (non-methyl) transferase inhibitors non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors non-methyl alkyl/aryl transferase inhibitor non-methyl alkyl/aryl transferase inhibitors non-methyl-alkyl or aryl transferase inhibitor non-methyl-alkyl or aryl transferase inhibitors CHEBI:76663 EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor CHEBI:76663 A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*). chebi_ontology EC 2.7.* (P-containing group transferase) inhibitors EC 2.7.* (phosphorus-containing group transferase) inhibitor EC 2.7.* (phosphorus-containing group transferase) inhibitors EC 2.7.* inhibitor EC 2.7.* inhibitors phosphorus-containing group transferase (EC 2.7.*) inhibitor phosphorus-containing group transferase (EC 2.7.*) inhibitors phosphorus-containing group transferase inhibitor phosphorus-containing group transferase inhibitors CHEBI:76668 EC 2.7.* (P-containing group transferase) inhibitor CHEBI:76668 An isomerase inhibitor that interferes with the action of any member of the group of 'other isomerases' (EC 5.99.*.*). chebi_ontology EC 5.99.* (miscellaneous isomerases) inhibitor EC 5.99.* (miscellaneous isomerases) inhibitors EC 5.99.* (other isomerase) inhibitor EC 5.99.* (other isomerase) inhibitors EC 5.99.* (other isomerases) inhibitors EC 5.99.* inhibitor EC 5.99.* inhibitors CHEBI:76697 EC 5.99.* (other isomerases) inhibitor CHEBI:76697 An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*). Wikipedia:Oxidoreductase chebi_ontology EC 1.* (oxidoreductase) inhibitors EC 1.* inhibitor EC 1.* inhibitors oxidoreductase (EC 1.*) inhibitor oxidoreductase (EC 1.*) inhibitors oxidoreductase inhibitor oxidoreductase inhibitors CHEBI:76725 EC 1.* (oxidoreductase) inhibitor CHEBI:76725 An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-OH group of donors (EC 1.1.*.*). chebi_ontology EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors EC 1.1.* inhibitor EC 1.1.* inhibitors inhibitor of oxidoreductase acting on CH-OH group of donor inhibitor of oxidoreductase acting on CH-OH group of donors inhibitors of oxidoreductase acting on CH-OH group of donor inhibitors of oxidoreductase acting on CH-OH group of donors oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors oxidoreductase acting on donor CH-OH group inhibitor oxidoreductase acting on donor CH-OH group inhibitors CHEBI:76726 EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor CHEBI:76726 An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH2 group of donors (EC 1.4.*.*). EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor chebi_ontology EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors EC 1.4.* inhibitor EC 1.4.* inhibitors inhibitor of oxidoreductase acting on CH-NH2 group of donor inhibitor of oxidoreductase acting on CH-NH2 group of donors inhibitors of oxidoreductase acting on CH-NH2 group of donor inhibitors of oxidoreductase acting on CH-NH2 group of donors oxidoreductase acting on CH-NH2 group of donor inhibitor oxidoreductase acting on CH-NH2 group of donor inhibitors oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors CHEBI:76730 EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor CHEBI:76730 An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on diphenols and related substances as donors (EC 1.10.*.*). chebi_ontology EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors EC 1.10.* inhibitor EC 1.10.* inhibitors inhibitor of an oxidoreductase acting on diphenols and related substances as donor inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) inhibitor of an oxidoreductase acting on diphenols and related substances as donors inhibitors of an oxidoreductase acting on diphenols and related substances as donor inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*) inhibitors of an oxidoreductase acting on diphenols and related substances as donors CHEBI:76737 EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor CHEBI:76737 An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on peroxide as donors (EC 1.11.*.*). chebi_ontology EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitors EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitor EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitors EC 1.11.* inhibitor EC 1.11.* inhibitors oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitor oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitors oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitor oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitors CHEBI:76738 EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor CHEBI:76738 An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases), EC 1.13.*.*. chebi_ontology EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitors EC 1.13.* inhibitor EC 1.13.* inhibitors oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitor oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitors oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitor oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitors CHEBI:76740 EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor CHEBI:76740 An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on hydrogen as donors (EC 1.14.*.*). chebi_ontology EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors EC 1.14.* inhibitor EC 1.14.* inhibitors inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors CHEBI:76741 EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor CHEBI:76741 Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*). Wikipedia:Hydrolase chebi_ontology EC 3.* (hydrolase) inhibitors EC 3.* inhibitor EC 3.* inhibitors EC 3.*.*.* inhibitor EC 3.*.*.* inhibitors hydrolase (EC 3.*) inhibitor hydrolase (EC 3.*) inhibitors hydrolase inhibitor hydrolase inhibitors CHEBI:76759 EC 3.* (hydrolase) inhibitor CHEBI:76759 A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*). chebi_ontology EC 3.1.* (ester hydrolase) inhibitors EC 3.1.* inhibitor EC 3.1.* inhibitors ester hydrolase (EC 3.1.*) inhibitor ester hydrolase (EC 3.1.*) inhibitors ester hydrolase inhibitor ester hydrolase inhibitors CHEBI:76760 EC 3.1.* (ester hydrolase) inhibitor CHEBI:76760 A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*). chebi_ontology EC 3.2.* (glycosylase) inhibitors EC 3.2.* inhibitor EC 3.2.* inhibitors glycosylase (EC 3.2.*) inhibitor glycosylase (EC 3.2.*) inhibitors glycosylase inhibitor glycosylase inhibitors CHEBI:76761 EC 3.2.* (glycosylase) inhibitor CHEBI:76761 Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*). chebi_ontology EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors EC 3.5.* inhibitor EC 3.5.* inhibitors CHEBI:76764 EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor CHEBI:76764 An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*). chebi_ontology EC 3.1.1.* (carboxylic ester hydrolase) inhibitors EC 3.1.1.* inhibitor EC 3.1.1.* inhibitors carboxylic ester hydrolase (EC 3.1.1.*) inhibitor carboxylic ester hydrolase (EC 3.1.1.*) inhibitors CHEBI:76773 EC 3.1.1.* (carboxylic ester hydrolase) inhibitor CHEBI:76773 An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any endoribonuclease producing 5'-phosphomonoesters (EC 3.1.26.*). chebi_ontology EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitors EC 3.1.26.* inhibitor EC 3.1.26.* inhibitors endoribonuclease producing 5'-phosphomonoesters (EC 3.1.26.*) inhibitor endoribonuclease producing 5'-phosphomonoesters (EC 3.1.26.*) inhibitors endoribonuclease producing 5'-phosphomonoesters inhibitor endoribonuclease producing 5'-phosphomonoesters inhibitors CHEBI:76785 EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor CHEBI:76785 An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18). Wikipedia:Glutathione_S-transferase chebi_ontology EC 2.5.1.18 (glutathione transferase) inhibitors EC 2.5.1.18 inhibitor EC 2.5.1.18 inhibitors RX:glutathione R-transferase inhibitor RX:glutathione R-transferase inhibitors S-(hydroxyalkyl)glutathione lyase inhibitor S-(hydroxyalkyl)glutathione lyase inhibitors glutathione S-alkyl transferase inhibitor glutathione S-alkyl transferase inhibitors glutathione S-alkyltransferase inhibitor glutathione S-alkyltransferase inhibitors glutathione S-aralkyltransferase inhibitor glutathione S-aralkyltransferase inhibitors glutathione S-aryltransferase inhibitor glutathione S-aryltransferase inhibitors glutathione S-transferase inhibitor glutathione S-transferase inhibitors glutathione transferase (EC 2.5.1.18) inhibitor glutathione transferase (EC 2.5.1.18) inhibitors glutathione transferase inhibitor glutathione transferase inhibitors CHEBI:76797 EC 2.5.1.18 (glutathione transferase) inhibitor CHEBI:76797 An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*). chebi_ontology EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors EC 3.5.1.* inhibitor EC 3.5.1.* inhibitors non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors CHEBI:76807 EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor CHEBI:76807 An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*). chebi_ontology EC 2.7.7.* (nucleotidyltransferase) inhibitors inhibitor of nucleotidyltransferases inhibitor of nucleotidyltransferases (EC 2.7.7.*) inhibitors of nucleotidyltransferases inhibitors of nucleotidyltransferases (EC 2.7.7.*) nucleotidyltransferase (EC 2.7.7.*) inhibitor nucleotidyltransferase (EC 2.7.7.*) inhibitors nucleotidyltransferase inhibitor nucleotidyltransferase inhibitors CHEBI:76815 EC 2.7.7.* (nucleotidyltransferase) inhibitor CHEBI:76815 An EC 6.4.* (C-C bond-forming ligase) inhibitor that interferes with the action of a carboxylating enzyme (EC 6.4.1.*). chebi_ontology EC 6.4.1.* (C-C bond forming ligase) inhibitor EC 6.4.1.* (C-C bond forming ligase) inhibitors EC 6.4.1.* (C-C bond-forming ligase) inhibitors EC 6.4.1.* (carboxylase) inhibitors EC 6.4.1.* inhibitor EC 6.4.1.* inhibitors inhibitor of ligases forming C-C bonds inhibitor of ligases forming C-C bonds (EC 6.4.1.*) inhibitors of ligases forming C-C bonds inhibitors of ligases forming C-C bonds (EC 6.4.1.*) CHEBI:76824 EC 6.4.1.* (carboxylase) inhibitor CHEBI:76824 An EC 5.99.* (other isomerases) inhibitor that interferes with the activity of any enzyme in the EC 5.99.1.* class. chebi_ontology EC 5.99.1.* (miscellaneous isomerase) inhibitors EC 5.99.1.* inhibitor EC 5.99.1.* inhibitors CHEBI:76830 EC 5.99.1.* (miscellaneous isomerase) inhibitor CHEBI:76830 An EC 2.5.* (transferase) inhibitor that inhibits the action of any transferase that transfers an alkyl (other than methyl) or aryl group (EC 2.5.*). chebi_ontology EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors EC 2.5.* inhibitor EC 2.5.* inhibitors non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors CHEBI:76834 EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor CHEBI:76834 An EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor that uses NAD(+) or NADP(+) as acceptor (EC 1.1.1.*). chebi_ontology EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors EC 1.1.1.* inhibitor EC 1.1.1.* inhibitors oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors CHEBI:76835 EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor CHEBI:76835 An EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor that inhibits the action of any oxidoreductase incorporating 2 atoms of oxygen (EC 1.13.11.*). chebi_ontology EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitors EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitors EC 1.13.11.* inhibitor EC 1.13.11.* inhibitors oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitor oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitors CHEBI:76837 EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor CHEBI:76837 An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using reduced flavin or flavoprotein as donor (EC 1.14.14.*). chebi_ontology EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors EC 1.14.14.* inhibitor EC 1.14.14.* inhibitors oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitor oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitors CHEBI:76838 EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor CHEBI:76838 An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any enzyme in the EC 1.14.99.* (miscellaneous) category. chebi_ontology EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors EC 1.14.99.* inhibitor EC 1.14.99.* inhibitors miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitor miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitors CHEBI:76840 EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor CHEBI:76840 An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme using a miscellaneous compound as one donor and incorporating one atom of oxygen (EC 1.14.18.*). chebi_ontology EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitors EC 1.14.18.* inhibitor EC 1.14.18.* inhibitors oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitor oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitors CHEBI:76845 EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor CHEBI:76845 An EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.4.3.*). chebi_ontology EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors EC 1.4.3.* inhibitor EC 1.4.3.* inhibitors oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors CHEBI:76861 EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor CHEBI:76861 An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any methyltransferase (EC 2.1.1.*). chebi_ontology EC 2.1.1.* (methyltransferase) inhibitor EC 2.1.1.* (methyltransferase) inhibitors EC 2.1.1.* (methyltransferases) inhibitors EC 2.1.1.* inhibitor EC 2.1.1.* inhibitors methyltransferase (EC 2.1.1.*) inhibitor methyltransferase (EC 2.1.1.*) inhibitors CHEBI:76871 EC 2.1.1.* (methyltransferases) inhibitor CHEBI:76871 An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*). chebi_ontology EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors EC 2.1.2.* inhibitor EC 2.1.2.* inhibitors hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors CHEBI:76874 EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor CHEBI:76874 An EC 2.3.* (acyltransferase) inhibitor that inhibits the action of any acyltransferase transferring groups other than amino-acyl groups (EC 2.3.1.*). chebi_ontology EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitors EC 2.3.1.* inhibitor EC 2.3.1.* inhibitors acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitor acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitors CHEBI:76878 EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor CHEBI:76878 An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor that interferes with the action of an unspecified monooxygenase (EC 1.14.14.1). chebi_ontology EC 1.14.14.1 (unspecific monooxygenase) inhibitors EC 1.14.14.1 inhibitor EC 1.14.14.1 inhibitors aryl hydrocarbon hydroxylase inhibitor aryl hydrocarbon hydroxylase inhibitors aryl-4-monooxygenase inhibitor aryl-4-monooxygenase inhibitors flavoprotein monooxygenase inhibitor flavoprotein monooxygenase inhibitors flavoprotein-linked monooxygenase inhibitor flavoprotein-linked monooxygenase inhibitors microsomal P-450 inhibitor microsomal P-450 inhibitors microsomal monooxygenase inhibitor microsomal monooxygenase inhibitors substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitor substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitors unspecific monooxygenase (EC 1.14.14.1) inhibitor unspecific monooxygenase (EC 1.14.14.1) inhibitors unspecific monooxygenase inhibitor unspecific monooxygenase inhibitors xenobiotic monooxygenase inhibitor xenobiotic monooxygenase inhibitors CHEBI:76898 EC 1.14.14.1 (unspecific monooxygenase) inhibitor CHEBI:76898 An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the function of any such enzyme using 2-oxoglutarate as one donor and incorporating one atom each of oxygen into both donors (EC 1.14.11.*). chebi_ontology EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitors EC 1.14.11.* (oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors) inhibitor EC 1.14.11.* (oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors) inhibitors EC 1.14.11.* inhibitor EC 1.14.11.* inhibitors oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors (EC 1.14.11.*) inhibitor oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors (EC 1.14.11.*) inhibitors oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors (EC 1.14.11.*) inhibitor oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors (EC 1.14.11.*) inhibitors CHEBI:76902 EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor CHEBI:76902 Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. CHEBI:75766 CHEBI:76925 chebi_ontology plant metabolites plant secondary metabolites CHEBI:76924 plant metabolite CHEBI:76924 An enzyme inhibitor that interferes with one or more steps in a metabolic pathway. chebi_ontology metabolic pathway inhibitor metabolic pathway inhibitors pathway inhibitors CHEBI:76932 pathway inhibitor CHEBI:76932 An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme acting on ATP and involved in cellular and subcellular movement (EC 3.6.4.*). chebi_ontology EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitor EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitors EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitors EC 3.6.4.* inhibitor EC 3.6.4.* inhibitors hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitor hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitors CHEBI:76938 EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor CHEBI:76938 An EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor that interferes with the action of a non-chaperonin molecular chaperone ATPase (EC 3.6.4.10). Wikipedia:Non-chaperonin_molecular_chaperone_ATPase chebi_ontology ATP phosphohydrolase (polypeptide-polymerising) inhibitor ATP phosphohydrolase (polypeptide-polymerising) inhibitors ATP phosphohydrolase (polypeptide-polymerizing) inhibitor ATP phosphohydrolase (polypeptide-polymerizing) inhibitors EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitors EC 3.6.4.10 inhibitor EC 3.6.4.10 inhibitors molecular chaperone Hsc70 ATPase inhibitor molecular chaperone Hsc70 ATPase inhibitors non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitor non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitors CHEBI:76939 EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor CHEBI:76939 Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. CHEBI:75765 CHEBI:76947 chebi_ontology fungal metabolites CHEBI:76946 fungal metabolite CHEBI:76946 Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus. CHEBI:75864 CHEBI:76958 chebi_ontology Aspergillus metabolites CHEBI:76956 Aspergillus metabolite CHEBI:76956 Any human metabolite produced by metabolism of a xenobiotic compound in humans. chebi_ontology human xenobiotic metabolites CHEBI:76967 human xenobiotic metabolite CHEBI:76967 Any prokaryotic metabolite produced during a metabolic reaction in bacteria. CHEBI:75760 CHEBI:76970 chebi_ontology CHEBI:76969 bacterial metabolite CHEBI:76969 Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. chebi_ontology E.coli metabolite E.coli metabolites Escherichia coli metabolites CHEBI:76971 Escherichia coli metabolite CHEBI:76971 Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. chebi_ontology bacterial xenobiotic metabolites CHEBI:76976 bacterial xenobiotic metabolite CHEBI:76976 Any compound produced by a plant that happens to have estrogenic activity. Wikipedia:Phytoestrogen chebi_ontology phytoestrogens CHEBI:76989 phytoestrogen CHEBI:76989 An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme in the EC 1.10.99.* category. chebi_ontology EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors EC 1.10.99.* inhibitor EC 1.10.99.* inhibitors oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors CHEBI:77019 EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor CHEBI:77019 An EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor that interferes with the action of ribosyldihydronicotinamide dehydrogenase (quinone), EC 1.10.99.2. Wikipedia:Ribosyldihydronicotinamide_dehydrogenase_(quinone) chebi_ontology 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors EC 1.10.99.2 inhibitor EC 1.10.99.2 inhibitors N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors NAD(P)H:quinone oxidoreductase-2 inhibitor NAD(P)H:quinone oxidoreductase-2 inhibitors NAD(P)H:quinone oxidoreductase2 inhibitor NAD(P)H:quinone oxidoreductase2 inhibitors NQO2 inhibitor NQO2 inhibitors NRH:quinone oxidoreductase 2 inhibitor NRH:quinone oxidoreductase 2 inhibitors QR2 inhibitor QR2 inhibitors quinone reductase 2 inhibitor quinone reductase 2 inhibitors ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors CHEBI:77020 EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor CHEBI:77020 Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex. PMID:17594730 chebi_ontology expectorants CHEBI:77035 expectorant CHEBI:77035 An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any such enzyme acting on the C-N bond of nitriles (EC 3.5.5.*). chebi_ontology EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitors EC 3.5.5.* inhibitor EC 3.5.5.* inhibitors hydrolase acting on C-N bonds in nitriles (EC 3.5.5.*) inhibitor hydrolase acting on C-N bonds in nitriles (EC 3.5.5.*) inhibitors inhibitor of hydrolases acting on C-N bonds in nitriles inhibitors of hydrolases acting on C-N bonds in nitriles CHEBI:77117 EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor CHEBI:77117 An EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor that interferes with the action of nitrilase (EC 3.5.5.1). Wikipedia:Nitrilase chebi_ontology EC 3.5.5.1 (nitrilase) inhhibitors EC 3.5.5.1 inhhibitor EC 3.5.5.1 inhhibitoras acetonitrilase inhhibitor acetonitrilase inhhibitors benzonitrilase inhhibitor benzonitrilase inhhibitors nitrilase (EC 3.5.5.1) inhhibitor nitrilase (EC 3.5.5.1) inhhibitorS nitrile aminohydrolase inhhibitor nitrile aminohydrolase inhhibitors CHEBI:77118 EC 3.5.5.1 (nitrilase) inhhibitor CHEBI:77118 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-E2 9-reductase (EC 1.1.1.189). Wikipedia:Prostaglandin-E2_9-reductase chebi_ontology (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors 9-keto-prostaglandin E2 reductase inhibitor 9-keto-prostaglandin E2 reductase inhibitors 9-ketoprostaglandin reductase inhibitor 9-ketoprostaglandin reductase inhibitors EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors EC 1.1.1.189 inhibitor EC 1.1.1.189 inhibitors PGE-9-ketoreductase inhibitor PGE-9-ketoreductase inhibitors PGE2 9-oxoreductase inhibitor PGE2 9-oxoreductase inhibitors PGE2-9-OR inhibitor PGE2-9-OR inhibitors PGE2-9-ketoreductase inhibitor PGE2-9-ketoreductase inhibitors prostaglandin 9-ketoreductase inhibitor prostaglandin 9-ketoreductase inhibitors prostaglandin E 9-ketoreductase inhibitor prostaglandin E 9-ketoreductase inhibitors prostaglandin E2-9-oxoreductase inhibitor prostaglandin E2-9-oxoreductase inhibitors prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors reductase, 15-hydroxy-9-oxoprostaglandin inhibitor reductase, 15-hydroxy-9-oxoprostaglandin inhibitors CHEBI:77119 EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor CHEBI:77119 A monohydroxycinnamic acid that is cinnamic acid in which the phenyl hydrogens at positions 3, 4, and 5 are replaced by methoxy, hydroxy, and methoxy groups, respectively. CAS:530-59-6 DrugBank:DB08587 KEGG:C00482 Wikipedia:Sinapinic_acid 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid chebi_ontology 224.21000 3,5-dimethoxy-4-hydroxycinnamic acid C11H12O5 COc1cc(C=CC(O)=O)cc(OC)c1O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) PCMORTLOPMLEFB-UHFFFAOYSA-N CHEBI:77131 sinapic acid CHEBI:77131 A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199). Wikipedia:Food_coloring chebi_ontology food coloring food colorings food colourings CHEBI:77182 food colouring CHEBI:77182 Any protective agent that is able to prevent damage to the heart. chebi_ontology cardioprotective agents CHEBI:77307 cardioprotective agent CHEBI:77307 A long-chain fatty alcohol in which the hydroxy group is attached to a methylene (CH2) group. chebi_ontology 1-methylene long chain fatty alcohol CH3OR OC[*] RCH2OH a long-chain primary fatty alcohol alpha-methylene long chain fatty alcohol CHEBI:77396 long-chain primary fatty alcohol CHEBI:77396 A long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine (Jasminum sambac). CAS:506-51-4 CBA:321567 LIPID_MAPS_instance:LMFA05000222 MetaCyc:CPD-7874 PMID:19716291 PMID:22417487 PMID:24239848 PMID:24386928 PMID:834119 Reaxys:1777129 Wikipedia:1-Tetracosanol tetracosan-1-ol chebi_ontology 1-tetracosanol 354.65320 C24H50O CCCCCCCCCCCCCCCCCCCCCCCCO InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3 TYWMIZZBOVGFOV-UHFFFAOYSA-N lignoceric alcohol lignoceryl alcohol n-Tetracosanol-1 n-tetracosanol tetracosanol tetracosyl alcohol CHEBI:77413 tetracosan-1-ol CHEBI:77413 A long-chain fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. CAS:1454-85-9 PMID:19112892 PMID:20491078 Reaxys:1702195 heptadecan-1-ol chebi_ontology 1-Hydroxyheptadecane 1-heptadecanol 256.46710 C17H36O CCCCCCCCCCCCCCCCCO GOQYKNQRPGWPLP-UHFFFAOYSA-N Heptadecanol Heptadecyl alcohol InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3 n-Heptadecanol CHEBI:77470 heptadecan-1-ol CHEBI:77470 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25). Wikipedia:Shikimate_dehydrogenase chebi_ontology 5-dehydroshikimate reductase inhibitor 5-dehydroshikimate reductase inhibitors 5-dehydroshikimic reductase inhibitor 5-dehydroshikimic reductase inhibitors AroE inhibitor AroE inhibitors DHS reductase inhibitor DHS reductase inhibitors EC 1.1.1.25 (shikimate dehydrogenase) inhibitors EC 1.1.1.25 inhibitor EC 1.1.1.25 inhibitors dehydroshikimic reductase inhibitor dehydroshikimic reductase inhibitors shikimate 5-dehydrogenase inhibitor shikimate 5-dehydrogenase inhibitors shikimate dehydrogenase (EC 1.1.1.25) inhibitor shikimate dehydrogenase (EC 1.1.1.25) inhibitors shikimate dehydrogenase inhibitor shikimate dehydrogenase inhibitors shikimate oxidoreductase inhibitor shikimate oxidoreductase inhibitors shikimate:NADP(+) 3-oxidoreductase inhibitor shikimate:NADP(+) 3-oxidoreductase inhibitors shikimate:NADP(+) 5-oxidoreductase inhibitor shikimate:NADP(+) 5-oxidoreductase inhibitors shikimate:NADP(+) oxidoreductase inhibitor shikimate:NADP(+) oxidoreductase inhibitors CHEBI:77484 EC 1.1.1.25 (shikimate dehydrogenase) inhibitor CHEBI:77484 Any product obtained as a result of thermally induced non-enzymatic degradation. chebi_ontology thermal artefact thermal artefacts thermal degradation products CHEBI:77521 thermal degradation product CHEBI:77521 Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products). PMID:23588491 PMID:23612540 PMID:24246231 Wikipedia:Maillard_reaction chebi_ontology Maillard product Maillard products maillard reaction products CHEBI:77523 Maillard reaction product CHEBI:77523 An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any fatty acyl-CoA; major species at pH 7.3. chebi_ontology C22H31N7O17P3SR CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O a fatty acyl-CoA fatty acyl-coenzyme A(4-) CHEBI:77636 fatty acyl-CoA(4-) CHEBI:77636 A phenolate anion that is the conjugate base of emodin, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3 (according to Marvin v 6.2.0.). 4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate chebi_ontology 269.22950 C15H9O5 Cc1cc(O)c2C(=O)c3c(O)cc([O-])cc3C(=O)c2c1 InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/p-1 RHMXXJGYXNZAPX-UHFFFAOYSA-M emodin CHEBI:77659 emodin(1-) CHEBI:77659 A flavonoid oxoanion that is the conjugate base of formononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate chebi_ontology 267.25670 C16H11O4 COc1ccc(cc1)-c1coc2cc([O-])ccc2c1=O HKQYGTCOTHHOMP-UHFFFAOYSA-M InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3/p-1 formononetin CHEBI:77688 formononetin(1-) CHEBI:77688 A phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). 7-oxo-7H-furo[3,2-g]chromen-4-olate chebi_ontology 201.15550 C11H5O4 GIJHDGJRTUSBJR-UHFFFAOYSA-M InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H/p-1 [O-]c1c2ccoc2cc2oc(=O)ccc12 bergaptol CHEBI:77728 bergaptol(1-) CHEBI:77728 Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). CHEBI:75770 CHEBI:77123 chebi_ontology H. sapiens metabolite H. sapiens metabolites Homo sapiens metabolite Homo sapiens metabolites CHEBI:77746 human metabolite CHEBI:77746 A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of daidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:DAIDZEIN PMID:21848266 PMID:23267126 PMID:23337939 PMID:23342971 PMID:23439294 PMID:9544566 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate chebi_ontology 253.23010 C15H9O4 InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H/p-1 Oc1ccc(cc1)-c1coc2cc([O-])ccc2c1=O ZQSIJRDFPHDXIC-UHFFFAOYSA-M daidzein CHEBI:77764 daidzein(1-) CHEBI:77764 A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of luteolin 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olate chebi_ontology 447.36950 C21H19O11 InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/p-1/t16-,18-,19+,20-,21-/m1/s1 OC[C@H]1O[C@@H](Oc2cc([O-])c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O PEFNSGRTCBGNAN-QNDFHXLGSA-M luteolin 7-O-beta-D-glucoside CHEBI:77791 luteolin 7-O-beta-D-glucoside(1-) CHEBI:77791 An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4). Wikipedia:Amidase chebi_ontology EC 3.5.1.4 (amidase) inhibitors EC 3.5.1.4 inhibitor EC 3.5.1.4 inhibitors N-acetylaminohydrolase inhibitor N-acetylaminohydrolase inhibitors acylamidase inhibitor acylamidase inhibitors acylamide amidohydrolase inhibitor acylamide amidohydrolase inhibitors amidase (EC 3.5.1.4) inhibitor amidase (EC 3.5.1.4) inhibitors amidase inhibitor amidase inhibitors amidohydrolase inhibitor amidohydrolase inhibitors deaminase inhibitor deaminase inhibitors fatty acylamidase inhibitor fatty acylamidase inhibitors CHEBI:77941 EC 3.5.1.4 (amidase) inhibitor CHEBI:77941 A food additive that is used to preserve the structure of food. Wikipedia:Stabiliser_(food) chebi_ontology food stabilisers food stabilizer food stabilizers stabiliser stabilisers stabilizer stabilizers CHEBI:77966 food stabiliser CHEBI:77966 A food additive that is used to increase the viscosity of foodstuffs. chebi_ontology food thickening agents thickening agent thickening agents CHEBI:77970 food thickening agent CHEBI:77970 A food additive that enhances the texture of a foodstuff by gel formation. chebi_ontology food gelling agents CHEBI:78016 food gelling agent CHEBI:78016 A propellant that is used to expel foods from an aerosol container. chebi_ontology food propellants CHEBI:78017 food propellant CHEBI:78017 A fatty acid anion containing 18 carbons and one double bond. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3. chebi_ontology 281.4534 C18H33O2 [O-]C([*])=O CHEBI:78049 octadecenoate CHEBI:78049 A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. hexadecenoate chebi_ontology 253.4003 C16H29O2 [O-]C([*])=O CHEBI:78095 hexadecenoate CHEBI:78095 Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 73.07060 C3H5O2 [O-]C([*])=O fatty acid 3:0 CHEBI:78113 fatty acid anion 3:0 CHEBI:78113 Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 87.09718 C4H7O2 [O-]C([*])=O fatty acid 4:0 CHEBI:78115 fatty acid anion 4:0 CHEBI:78115 Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 115.15034 C6H11O2 [O-]C([*])=O fatty acid 6:0 CHEBI:78116 fatty acid anion 6:0 CHEBI:78116 Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 143.20350 C8H15O2 [O-]C([*])=O fatty acid 8:0 CHEBI:78117 fatty acid anion 8:0 CHEBI:78117 Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 171.25670 C10H19O2 [O-]C([*])=O fatty acid 10:0 CHEBI:78118 fatty acid anion 10:0 CHEBI:78118 Any saturated fatty acid anion containing 12 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 199.30982 C12H23O2 [O-]C([*])=O fatty acid 12:0 CHEBI:78119 fatty acid anion 12:0 CHEBI:78119 Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 227.36298 C14H27O2 [O-]C([*])=O fatty acid 14:0 CHEBI:78121 fatty acid anion 14:0 CHEBI:78121 Any saturated fatty acid anion containing 15 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 241.38960 C15H29O2 [O-]C([*])=O fatty acid 15:0 CHEBI:78122 fatty acid anion 15:0 CHEBI:78122 Any saturated fatty acid anion containing 16 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 255.41610 C16H31O2 [O-]C([*])=O fatty acid 16:0 CHEBI:78123 fatty acid anion 16:0 CHEBI:78123 Any saturated fatty acid anion containing 18 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 283.46930 C18H35O2 [O-]C([*])=O fatty acid 18:0 CHEBI:78125 fatty acid anion 18:0 CHEBI:78125 Any saturated fatty acid anion containing 22 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 339.57560 C22H43O2 [O-]C([*])=O fatty acid 22:0 CHEBI:78127 fatty acid anion 22:0 CHEBI:78127 Any saturated fatty acid anion containing 24 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 367.62880 C24H47O2 [O-]C([*])=O fatty acid 24:0 CHEBI:78128 fatty acid anion 24:0 CHEBI:78128 Any saturated fatty acid anion containing 26 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 395.68190 C26H51O2 [O-]C([*])=O fatty acid 26:0 CHEBI:78129 fatty acid anion 26:0 CHEBI:78129 Any saturated fatty acid anion containing 28 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 423.73510 C28H55O2 [O-]C([*])=O fatty acid 28:0 CHEBI:78130 fatty acid anion 28:0 CHEBI:78130 Any saturated fatty acid anion containing 30 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology 451.78826 C30H59O2 [O-]C([*])=O fatty acid 30:0 CHEBI:78131 fatty acid anion 30:0 CHEBI:78131 Any fatty alcohol containing 18 carbons. fatty alcohol 18:0 chebi_ontology 270.49372 C18H38O O[*] CHEBI:78138 fatty alcohol 18:0 CHEBI:78138 Any fatty alcohol containing 24 carbons. fatty alcohol 24:0 chebi_ontology 354.65320 C24H50O O[*] CHEBI:78142 fatty alcohol 24:0 CHEBI:78142 Any fatty alcohol containing 30 carbons. fatty alcohol 30:0 chebi_ontology 438.81270 C30H62O O[*] CHEBI:78145 fatty alcohol 30:0 CHEBI:78145 A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with ethanol. chebi_ontology C3H5O2R CCOC([*])=O a fatty acid ethyl ester CHEBI:78206 fatty acid ethyl ester CHEBI:78206 Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. chebi_ontology dietary component dietary components food components CHEBI:78295 food component CHEBI:78295 Any minor or unwanted substance introduced into the environment that can have undesired effects. chebi_ontology environmental contaminants CHEBI:78298 environmental contaminant CHEBI:78298 A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. Reaxys:2210026 1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzene chebi_ontology 2,4,5-trimethoxy-1-propenylbenzene 208.25360 C12H16O3 COc1cc(OC)c(C=CC)cc1OC InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3 RKFAZBXYICVSKP-UHFFFAOYSA-N CHEBI:78308 asarone CHEBI:78308 The trans-isomer of asarone. CAS:2883-98-9 HMDB:HMDB31469 KEGG:C17846 PMID:22878197 PMID:22964166 PMID:22975146 PMID:24498829 PMID:24580506 Reaxys:1910606 Wikipedia:Asarone 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene chebi_ontology 208.25360 Asarone C12H16O3 COc1cc(OC)c(\C=C\C)cc1OC InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ RKFAZBXYICVSKP-AATRIKPKSA-N trans-1,2,4-trimethoxy-5-(1-propenyl)benzene trans-Isoasaron trans-Isoasarone CHEBI:78309 alpha-asarone CHEBI:78309 A carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4. CAS:18309-32-5 KEGG:C09913 KNApSAcK:C00003067 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one chebi_ontology 150.21760 C10H14O CC1=CC(=O)C2CC1C2(C)C DCSCXTJOXBUFGB-UHFFFAOYSA-N InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3 CHEBI:78315 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one CHEBI:78315 A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration. CAS:1196-01-6 PMID:24339334 Reaxys:1907623 Wikipedia:Levoverbenone (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one chebi_ontology (-)-cis-verbenone (-)-verbenone 150.21760 C10H14O CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C DCSCXTJOXBUFGB-JGVFFNPUSA-N InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1 l-verbenoe levoverbenone CHEBI:78316 (S)-(-)-verbenone CHEBI:78316 A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. CAS:50-21-5 KEGG:C01432 KEGG:D00111 2-Hydroxypropanoic acid 2-hydroxypropanoic acid chebi_ontology 2-Hydroxypropionic acid 90.07790 C3H6O3 CC(O)C(O)=O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N Lactic acid CHEBI:78320 2-hydroxypropanoic acid CHEBI:78320 A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure. Wikipedia:Refrigerant chebi_ontology refrigerants CHEBI:78433 refrigerant CHEBI:78433 Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ). chebi_ontology Alpha-carboxylesterase inhibitor Alpha-carboxylesterase inhibitors Beta-esterase inhibitor Beta-esterase inhibitors EC 3.1.1.1 (carboxylesterase) inhibitors ali-esterase inhibitor ali-esterase inhibitors butyrate esterase inhibitor butyrate esterase inhibitors butyryl esterase inhibitor butyryl esterase inhibitors carboxyl ester hydrolase inhibitor carboxyl ester hydrolase inhibitors carboxylate esterase inhibitor carboxylate esterase inhibitors carboxylesterase inhibitor carboxylesterase inhibitors carboxylic acid esterase inhibitor carboxylic acid esterase inhibitors carboxylic esterase inhibitor carboxylic esterase inhibitors carboxylic-ester hydrolase inhibitor carboxylic-ester hydrolase inhibitors cocaine esterase inhibitor cocaine esterase inhibitors esterase A inhibitor esterase A inhibitors esterase B inhibitor esterase B inhibitors esterase D inhibitor esterase D inhibitors methylbutyrase inhibitor methylbutyrase inhibitors methylbutyrate esterase inhibitor methylbutyrate esterase inhibitors monobutyrase inhibitor monobutyrase inhibitors nonspecific carboxylesterase inhibitor nonspecific carboxylesterase inhibitors procaine esterase inhibitor procaine esterase inhibitors propionyl esterase inhibitor propionyl esterase inhibitors serine esterase inhibitor serine esterase inhibitors triacetin esterase inhibitor triacetin esterase inhibitors vitamin A esterase inhibitor vitamin A esterase inhibitors CHEBI:78444 EC 3.1.1.1 (carboxylesterase) inhibitor CHEBI:78444 An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3. CHEBI:83409 MetaCyc:Alpha-Amino-Acids chebi_ontology C2H4NO2R [NH3+]C([*])C([O-])=O an alpha-amino acid CHEBI:78608 alpha-amino acid zwitterion CHEBI:78608 Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation. chebi_ontology carbohydrates and derivatives carbohydrates and their derivatives CHEBI:78616 carbohydrates and carbohydrate derivatives CHEBI:78616 Any metabolite produced by all living cells. chebi_ontology essential metabolite essential metabolites fundamental metabolites CHEBI:78675 fundamental metabolite CHEBI:78675 A straight-chain, saturated fatty acid anion resulting from the deprotonation of the carboxy group of pentadecanoic acid. It is the major species at pH 7.3. pentadecanoate chebi_ontology 241.39010 C15H29O2 CCCCCCCCCCCCCCC([O-])=O InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1 WQEPLUUGTLDZJY-UHFFFAOYSA-M CHEBI:78795 pentadecanoate CHEBI:78795 Any organic molecular entity that contains at least one C=C bond. chebi_ontology olefinic compounds CHEBI:78840 olefinic compound CHEBI:78840 A terpineol that is 1-menthene carrying a hydroxy substituent at position 4. CAS:562-74-3 HMDB:HMDB35833 KEGG:C17073 PMID:21760828 PMID:22998411 PMID:23292030 PMID:23469686 PMID:23649340 PMID:24349880 PMID:24460330 PMID:24731375 Reaxys:1906603 4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol chebi_ontology (+-)-p-Menth-1-en-4-ol 1-Menthene-4-ol 1-Methyl-4-isopropyl-1-cyclohexen-4-ol 1-Terpinen-4-ol 1-isopropyl-4-methylcyclohex-3-en-1-ol 1-p-Menthen-4-ol 1-para-Menthen-4-ol 154.24930 4-Carvomenthenol 4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol 4-Methyl-1-isopropyl-3-cyclohexen-1-ol C10H18O CC(C)C1(O)CCC(C)=CC1 InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 Terpene-4-ol Terpin-4-en-1-ol Terpinen-4-ol Terpinene-4-ol Terpinenol-4 Terpineol-4 WRYLYDPHFGVWKC-UHFFFAOYSA-N alpha-terpinen-4-ol p-Menth-1-en-4-ol CHEBI:78884 4-terpineol CHEBI:78884 A terpene glycoside that has formula C23H28O11. CAS:23180-57-6 KEGG:C09959 KNApSAcK:C00003011 Paeoniflorin chebi_ontology 480.463 C23H28O11 C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 YKRGDOXKVOZESV-WRJNSLSBSA-N CHEBI:7889 Paeoniflorin CHEBI:7889 A glycoside that has formula C20H28O12. CAS:72520-92-4 KEGG:C10715 KNApSAcK:C00002705 Paeonolide chebi_ontology 460.430 C20H28O12 COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 IDZZECHGWAZTIB-NYBIBFQCSA-N InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1 CHEBI:7891 Paeonolide CHEBI:7891 A hydroxy fatty acid that is a straight-chain fatty acid in which one of the hydrogens attached to the carbon adjacent to the terminal methyl group (i.e. at the (omega-1) position) is replaced by a hydroxy group. chebi_ontology (omega-1)-hydroxy fatty acids CHEBI:78954 (omega-1)-hydroxy fatty acid CHEBI:78954 A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3. CHEBI:231736 Beilstein:3589907 CAS:143-20-4 Gmelin:344266 HMDB:HMDB00220 MetaCyc:PALMITATE Reaxys:3589907 hexadecanoate chebi_ontology (16:0) 1-hexyldecanoate 1-pentadecanecarboxylate 255.41610 C16H31O2 CCCCCCCCCCCCCCCC([O-])=O CH3-[CH2]14-COO(-) Hexadecanoic acid, ion(1-) IPCSVZSSVZVIGE-UHFFFAOYSA-M InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 n-hexadecanoate n-hexadecoate palmitate pentadecanecarboxylate CHEBI:7896 hexadecanoate CHEBI:7896 A lignan that has formula C21H24O6. CAS:7770-78-7 KEGG:C10545 KNApSAcK:C00000609 LINCS:LSM-3183 (-)-Arctigenin chebi_ontology 372.412 C21H24O6 COc1cc(C[C@@H]2[C@@H](Cc3ccc(OC)c(OC)c3)COC2=O)ccc1O InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 NQWVSMVXKMHKTF-JKSUJKDBSA-N CHEBI:79 (-)-Arctigenin CHEBI:79 A very long-chain fatty acid anion that is the conjugate base of tricosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:20671299 tricosanoate chebi_ontology 353.60270 C23H45O2 CCCCCCCCCCCCCCCCCCCCCCC([O-])=O InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)/p-1 XEZVDURJDFGERA-UHFFFAOYSA-M CHEBI:79007 tricosanoate CHEBI:79007 A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond. chebi_ontology 2,3-unsaturated monocarboxylic acid 2,3-unsaturated monocarboxylic acids alpha,beta-unsaturated monocarboxylic acids CHEBI:79020 alpha,beta-unsaturated monocarboxylic acid CHEBI:79020 Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers. Wikipedia:Plasticizer chebi_ontology plasticisers plasticizer plasticizers CHEBI:79056 plasticiser CHEBI:79056 A macrolide that has formula C23H37NO7. CAS:72213-98-0 KEGG:C10357 KNApSAcK:C00002104 Parsonsine chebi_ontology 439.500 C23H37NO7 CC(C)[C@@]1(O)CC(=O)O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 InChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14-,16-,18-,21+,22+/m1/s1 MPPSDVYCCOJJIB-QCNRXRGQSA-N CHEBI:7937 Parsonsine CHEBI:7937 Any inorganic anion with a valency of three. chebi_ontology trivalent inorganic anions CHEBI:79387 trivalent inorganic anion CHEBI:79387 Any inorganic anion with a valency of two. chebi_ontology divalent inorganic anions CHEBI:79388 divalent inorganic anion CHEBI:79388 Any inorganic anion with a valency of one. chebi_ontology monovalent inorganic anions CHEBI:79389 monovalent inorganic anion CHEBI:79389 A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer). CAS:5986-55-0 KEGG:C09705 KNApSAcK:C00003168 MetaCyc:CPD-11399 PMID:20148554 PMID:3038029 Reaxys:5730219 (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol Patchouli alcohol patchoulol chebi_ontology (-)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0(3,8)]undecan-3-ol (-)-patchouli alcohol (-)-patchoulol 222.36630 C15H26O GGHMUJBZYLPWFD-CUZKYEQNSA-N InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1 [1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol [H][C@@]12CC[C@@]3(C)[C@@]([H])(C1)[C@@H](C)CC[C@@]3(O)C2(C)C patchoulanol patchouli camphor patchoulic alcohol patchoulol CHEBI:7940 patchouli alcohol CHEBI:7940 An alkaloid that has formula C19H24ClNO6. CAS:17088-50-5 KEGG:C16910 chebi_ontology 397.85000 C19H24ClNO6 COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34N(C)CC[C@]23CC(=O)C(OC)=C4OC)[C@@H]1O FSXRARBVZZKCGJ-FMAJMWNWSA-N InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1 CHEBI:80789 Acutumine CHEBI:80789 A butenolide that has formula C10H8O4. CAS:508-44-1 KEGG:C16913 chebi_ontology 192.16810 C10H8O4 InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m1/s1 JLUQTCXCAFSSLD-NXEZZACHSA-N O=C1O[C@@]2(CC[C@@]22OC(=O)C=C2)C=C1 Pulsatilla camphor CHEBI:80791 Anemonin CHEBI:80791 A lignan that has formula C27H34O11. CAS:20362-31-6 KEGG:C16915 chebi_ontology 534.55230 C27H34O11 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1 XOJVHLIYNSOZOO-SWOBOCGESA-N CHEBI:80793 Arctiin CHEBI:80793 A morphinane alkaloid that has formula C38H44N2O8. KEGG:C16954 chebi_ontology 656.76460 AXVVWZONCVUAPP-QULPKBGFSA-N Bisinomenine C38H44N2O8 COC1=C[C@@H]2[C@@H]3Cc4c(cc(OC)c(O)c4[C@]2(CCN3C)CC1=O)-c1cc(OC)c(O)c2c1C[C@H]1[C@H]3C=C(OC)C(=O)C[C@@]23CCN1C InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1 CHEBI:80819 Disinomenine CHEBI:80819 An alkaloid that has formula C17H15NO3. KEGG:C16997 chebi_ontology 281.30590 C17H15NO3 CKIYSMRPIBQTHQ-JKSUJKDBSA-N InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16+/m0/s1 O[C@H]1[C@H]2NCCc3cc4OCOc4c(-c4ccccc14)c23 CHEBI:80850 Michelalbine CHEBI:80850 A glycoside that has formula C16H22O9. CAS:14215-86-2 KEGG:C17071 chebi_ontology 358.34050 C16H22O9 InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O VSJGJMKGNMDJCI-ZASXJUAOSA-N CHEBI:80907 Sweroside CHEBI:80907 An isoquinoline alkaloid that has formula C18H19NO3. KEGG:C17077 chebi_ontology 297.34840 C18H19NO3 COc1cc2CCN[C@@H]3Cc4ccc(O)cc4-c(c1OC)c23 InChI=1S/C18H19NO3/c1-21-15-8-11-5-6-19-14-7-10-3-4-12(20)9-13(10)17(16(11)14)18(15)22-2/h3-4,8-9,14,19-20H,5-7H2,1-2H3/t14-/m1/s1 KUECBJOPWMRHEX-CQSZACIVSA-N CHEBI:80910 Tuduranine CHEBI:80910 A 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid. Reaxys:3667177 2-hydroxy-3-phenylpropanoate chebi_ontology 165.16596 C9H9O3 InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1 OC(Cc1ccccc1)C([O-])=O VOXXWSYKYCBWHO-UHFFFAOYSA-M phenyllactate CHEBI:8100 3-phenyllactate CHEBI:8100 An alkaloid that has formula C20H21NO4. CAS:38853-67-7 KEGG:C17898 chebi_ontology 339.38500 C20H21NO4 COc1cc2CCN3Cc4c5OCOc5ccc4CC3c2cc1OC InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3 UWEHVAXMSWXKRW-UHFFFAOYSA-N CHEBI:81368 Sinactine CHEBI:81368 A morphinane alkaloid that has formula C19H23NO4. KEGG:C17899 chebi_ontology 329.39020 C19H23NO4 COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c24)[C@H]3CC1=O InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/t12-,13+,19-/m1/s1 OWDQPILTDJLGCN-QHRIQVFBSA-N CHEBI:81369 Isosinomenine CHEBI:81369 A triterpenoid that has formula C30H50O. CAS:1615-94-7 KEGG:C17901 chebi_ontology 426.71740 C30H50O CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]21C InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1 XVXPXUMUGATHPD-JMJRLLIOSA-N CHEBI:81371 Simiarenol CHEBI:81371 A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl groups. PMID:15302525 PMID:16915861 PMID:20653530 Wikipedia:Pinoresinol chebi_ontology CHEBI:8225 pinoresinol CHEBI:8225 A fatty aldehyde that has formula C6H8O. CAS:142-83-6 KEGG:C19249 chebi_ontology (E,E)-2,4-Hexadienal 96.12710 BATOPAZDIZEVQF-MQQKCMAXSA-N C6H8O C\C=C\C=C\C=O InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+ CHEBI:82334 2,4-Hexadienal CHEBI:82334 An elemental molecular entity in which all of the atoms have atomic number 26. chebi_ontology CHEBI:82663 elemental iron CHEBI:82663 Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain. chebi_ontology [O-]C([*])=O monounsaturated fatty acid anions CHEBI:82680 monounsaturated fatty acid anion CHEBI:82680 A monocarboxylic acid anion that is the conjugate base of oleanolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:18835348 3beta-hydroxyolean-12-en-28-oate oleanolate chebi_ontology 455.69290 C30H47O3 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C([O-])=O InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/p-1/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 MIJYXULNPSFWEK-GTOFXWBISA-M CHEBI:82828 oleanolate CHEBI:82828 A Daphnia metabolite produced by the species Daphnia galeata. chebi_ontology Daphnia galeata metabolites CHEBI:83038 Daphnia galeata metabolite CHEBI:83038 An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill. chebi_ontology crustacean metabolites CHEBI:83039 crustacean metabolite CHEBI:83039 A Daphnia metabolite produced by the species Daphnia magna. chebi_ontology Daphnia magna metabolites CHEBI:83056 Daphnia magna metabolite CHEBI:83056 A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia Wikipedia:Daphnia chebi_ontology Daphnia metabolites CHEBI:83057 Daphnia metabolite CHEBI:83057 A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any long-chain fatty acyl-CoA; major species at pH 7.3. chebi_ontology C22H31N7O17P3SR CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O a long-chain fatty acyl-CoA CHEBI:83139 long-chain fatty acyl-CoA(4-) CHEBI:83139 A Daphnia metabolite produced by the species Daphnia tenebrosa. chebi_ontology Daphnia tenebrosa metabolites CHEBI:83146 Daphnia tenebrosa metabolite CHEBI:83146 Any C-glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a flavone skeleton, thus creating a C-C bond. chebi_ontology flavone C-glycosides CHEBI:83280 flavone C-glycoside CHEBI:83280 A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any beta-D-glucosiduronic acid; major species at pH 7.3. MetaCyc:Beta-D-Glucuronides chebi_ontology C6H8O7R O[C@@H]1[C@@H](O)[C@H](O[*])O[C@@H]([C@H]1O)C([O-])=O a beta-D-glucuronoside CHEBI:83411 beta-D-glucosiduronate CHEBI:83411 Any alkane having a chain length of at least 13 carbon atoms. chebi_ontology HR [*] a long-chain alkane CHEBI:83563 long-chain alkane CHEBI:83563 A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxolacceroyl-CoA; major species at pH 7.3. chebi_ontology 1240.32200 3-ketodotriacontanoyl-coenzyme A(4-) 3-ketolacceroyl-CoA(4-) 3-ketolacceroyl-coenzyme A(4-) 3-oxo-dotriacontanoyl-CoA 3-oxodotriacontanoyl-CoA(4-) 3-oxodotriacontanoyl-coenzyme A(4-) 3-oxolacceroyl-coenzyme A(4-) C53H92N7O18P3S CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 InChI=1S/C53H96N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h39-40,42,46-48,52,64-65H,4-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/p-4/t42-,46-,47-,48+,52-/m1/s1 VVJMBDPTYGWBEY-YQUCNGBHSA-J CHEBI:83795 3-oxolacceroyl-CoA(4-) CHEBI:83795 Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom. chebi_ontology canonical amino acid derivative canonical amino acid derivatives canonical amino-acid derivative canonical amino-acid derivatives proteinogenic amino acid derivatives proteinogenic amino-acid derivative proteinogenic amino-acid derivatives CHEBI:83811 proteinogenic amino acid derivative CHEBI:83811 Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration. Wikipedia:Proteinogenic_amino_acid chebi_ontology canonical amino acid canonical amino acids proteinogenic amino acids CHEBI:83813 proteinogenic amino acid CHEBI:83813 Any amino-acid that is not naturally encoded in the genetic code of any organism. Wikipedia:Non-proteinogenic_amino_acids chebi_ontology non-canonical amino acid non-canonical amino acids non-canonical amino-acid non-canonical amino-acids non-coded amino acid non-coded amino acids non-coded amino-acid non-coded amino-acids non-proteinogenic amino acids non-proteinogenic amino-acid non-proteinogenic amino-acids CHEBI:83820 non-proteinogenic amino acid CHEBI:83820 Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues. CHEBI:25359 chebi_ontology amino acid derivatives modified amino acids CHEBI:83821 amino acid derivative CHEBI:83821 Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids. chebi_ontology non-proteinogenic alpha-amino acids non-proteinogenic alpha-amino-acid non-proteinogenic alpha-amino-acids CHEBI:83925 non-proteinogenic alpha-amino acid CHEBI:83925 A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3. chebi_ontology 3-methyl fatty acid 3-methyl-branched fatty acid anion 3-methyl-branched fatty acid(1-) C4H6O2R CC([*])CC([O-])=O CHEBI:83972 3-methyl fatty acid anion CHEBI:83972 Any phospho sugar that is the phosphate derivative of pentose. chebi_ontology pentose phosphates CHEBI:84055 pentose phosphate CHEBI:84055 Any metabolite (endogenous or exogenous) found in human urine samples. chebi_ontology human urinary metabolites CHEBI:84087 human urinary metabolite CHEBI:84087 A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any 3-hydroxy fatty acid. chebi_ontology 3-hydroxy fatty acid C3H4O3R OC([*])CC([O-])=O CHEBI:84196 3-hydroxy fatty acid anion CHEBI:84196 An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of nicotinamidase (EC 3.5.1.19). Wikipedia:Nicotinamidase chebi_ontology EC 3.5.1.19 (nicotinamidase) inhibitors EC 3.5.1.19 inhibitor EC 3.5.1.19 inhibitors YNDase inhibitor YNDase inhibitors nicotinamidase (EC 3.5.1.19) inhibitor nicotinamidase (EC 3.5.1.19) inhibitors nicotinamidase inhibitor nicotinamidase inhibitors nicotinamide amidase inhibitor nicotinamide amidase inhibitors nicotinamide amidohydrolase inhibitor nicotinamide amidohydrolase inhibitors nicotinamide deaminase inhibitor nicotinamide deaminase inhibitors CHEBI:84264 EC 3.5.1.19 (nicotinamidase) inhibitor CHEBI:84264 A fatty aldehyde formally arising from reduction of nonanoic acis. Metabolite observed in cancer metabolism. CAS:124-19-6 HMDB:HMDB59835 KNApSAcK:C00030828 LIPID_MAPS_instance:LMFA06000040 MetaCyc:CPD-8491 PMID:25172748 PMID:25466114 PMID:25518943 Reaxys:1236701 Wikipedia:Nonanal nonanal chebi_ontology 142.23860 C9H18O CCCCCCCCC=O GYHFUZHODSMOHU-UHFFFAOYSA-N InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3 n-nonaldehyde nonanoic aldehyde nonyl aldehyde nonylaldehyde nonylic aldehyde pelargonaldehyde pelargonic aldehyde CHEBI:84268 nonanal CHEBI:84268 A cholesterol ester obtained by the formal condensation of the hydroxy group of cholesterol with the carboxy group of myristic acid. CAS:1989-52-2 HMDB:HMDB06725 LIPID_MAPS_instance:LMST01020004 PMID:20674581 PMID:20970407 PMID:22339978 PMID:6947261 Reaxys:2068082 (3beta)-cholest-5-en-3-yl tetradecanoate chebi_ontology 1-Myristoyl-cholesterol 597.00920 C41H72O2 CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C CE(14:0) CE(14:0/0:0) Cholesterol 1-tetradecanoic acid Cholesterol Ester(14:0) Cholesterol Ester(14:0/0:0) InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1 SJDMTGSQPOFVLR-ZPQCIJQQSA-N cholesteryl tetradecanoate CHEBI:84304 cholesteryl myristate CHEBI:84304 A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any (omega-1)-hydroxy fatty acid; major species at pH 7.3. (omega-1)-hydroxy fatty acid anion chebi_ontology (omega-1)-hydroxy fatty acid C3H5O3R CC(O)[*]C([O-])=O CHEBI:84497 (omega-1)-hydroxy fatty acid anion CHEBI:84497 A 3-oxo-fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxolacceroic acid. 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxodotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} chebi_ontology 1244.35200 3-ketodotriacontanoyl-CoA 3-ketodotriacontanoyl-coenzyme A 3-ketolacceroyl-CoA 3-ketolacceroyl-coenzyme A 3-oxodotriacontanoyl-CoA 3-oxodotriacontanoyl-coenzyme A 3-oxolacceroyl-coenzyme A C53H96N7O18P3S CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 InChI=1S/C53H96N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h39-40,42,46-48,52,64-65H,4-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/t42-,46-,47-,48+,52-/m1/s1 VVJMBDPTYGWBEY-YQUCNGBHSA-N CHEBI:84584 3-oxolacceroyl-CoA CHEBI:84584 A fatty aldehyde with a trans-double bond at carbon 2. chebi_ontology 2E-fatty aldehyde C3H3OR [*]\C=C\C=O trans-2-enal CHEBI:84588 trans-2,3-unsaturated fatty aldehyde CHEBI:84588 Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. chebi_ontology algal metabolites CHEBI:84735 algal metabolite CHEBI:84735 A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. CAS:628-97-7 HMDB:HMDB29811 LIPID_MAPS_instance:LMFA07010471 PMID:22936608 PMID:24431044 PMID:24794020 Reaxys:1782663 ethyl hexadecanoate chebi_ontology 284.47720 C18H36O2 CCCCCCCCCCCCCCCC(=O)OCC Ethyl cetylate InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3 Palmitic acid ethyl ester WE(2:0/16:0) XIRNKXNNONJFQO-UHFFFAOYSA-N ethyl palmitate CHEBI:84932 ethyl hexadecanoate CHEBI:84932 A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. CAS:111-62-6 HMDB:HMDB34451 KEGG:D04090 MetaCyc:CPD-14388 PMID:25596105 PMID:25612070 Reaxys:1727318 Wikipedia:Ethyl_oleate ethyl (9Z)-octadec-9-enoate chebi_ontology 310.51450 C20H38O2 CCCCCCCC\C=C/CCCCCCCC(=O)OCC Ethyl cis-9-octadecenoate InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11- LVGKNOAMLMIIKO-QXMHVHEDSA-N ethyl (9Z)-octadecenoate oleic acid ethyl ester CHEBI:84940 ethyl oleate CHEBI:84940 Any fatty acyl-CoA(4-) in which the 11-12 bond of the fatty acyl group is saturated. This is needed for a reaction together with CHEBI:84947 PMID:10563812 PMID:2295634 chebi_ontology C33H53N7O17P3SR CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCC[*] an 11,12-saturated fatty acyl-CoA CHEBI:84948 11,12-saturated fatty acyl-CoA(4-) CHEBI:84948 Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin. PMID:21265866 PMID:22132817 PMID:22314516 PMID:23891889 PMID:23974587 PMID:25535470 PMID:25574195 PMID:25643794 Wikipedia:Skin_whitening chebi_ontology melanogenesis inhibitor melanogenesis inhibitors skin bleaching agent skin bleaching agents skin depigmenting agent skin depigmenting agents skin lightening agents skin whitening agent skin whitening agents CHEBI:85046 skin lightening agent CHEBI:85046 An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.10.3.*). chebi_ontology EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitors EC 1.10.3.* inhibitor EC 1.10.3.* inhibitors CHEBI:85048 EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor CHEBI:85048 Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of catechol oxidase (EC 1.10.3.1). Wikipedia:Catechol_oxidase chebi_ontology 1,2-benzenediol:oxygen oxidoreductase inhibitor 1,2-benzenediol:oxygen oxidoreductase inhibitors Dopa oxidase inhibitor Dopa oxidase inhibitors EC 1.10.3.1 (catechol oxidase) inhibitors EC 1.10.3.1 inhibitor EC 1.10.3.1 inhibitors catechol oxidase (EC 1.10.3.1) inhibitor catechol oxidase (EC 1.10.3.1) inhibitors catechol oxidase inhibitor catechol oxidase inhibitors catecholase inhibitor catecholase inhibitors diphenol oxidase inhibitor diphenol oxidase inhibitors o-diphenol oxidoreductase inhibitor o-diphenol oxidoreductase inhibitors o-diphenol:oxygen oxidoreductase inhibitor o-diphenol:oxygen oxidoreductase inhibitors o-diphenolase inhibitor o-diphenolase inhibitors phenolase inhibitor phenolase inhibitors polyphenol oxidase inhibitor polyphenol oxidase inhibitors pyrocatechol oxidase inhibitor pyrocatechol oxidase inhibitors tyrosinase inhibitor tyrosinase inhibitors CHEBI:85049 EC 1.10.3.1 (catechol oxidase) inhibitor CHEBI:85049 Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of laccase (EC 1.10.3.2). Wikipedia:Laccase chebi_ontology EC 1.10.3.2 (laccase) inhibitors EC 1.10.3.2 inhibitor EC 1.10.3.2 inhibitors benzenediol:oxygen oxidoreductase inhibitor benzenediol:oxygen oxidoreductase inhibitors laccase (EC 1.10.3.2) inhibitor laccase (EC 1.10.3.2) inhibitors laccase inhibitor laccase inhibitors p-diphenol oxidase inhibitor p-diphenol oxidase inhibitors urishiol oxidase inhibitor urishiol oxidase inhibitors urushiol oxidase inhibitor urushiol oxidase inhibitors CHEBI:85050 EC 1.10.3.2 (laccase) inhibitor CHEBI:85050 Any EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor that interferes with the action of quercetin 2,3-dioxygenase (EC 1.13.1.24). Wikipedia:Quercetin_2,3-dioxygenase chebi_ontology EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitors EC 1.13.11.24 inhibitor EC 1.13.11.24 inhibitors flavonol 2,4-oxygenase inhibitor flavonol 2,4-oxygenase inhibitors quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitor quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitors quercetin 2,3-dioxygenase inhibitor quercetin 2,3-dioxygenase inhibitors quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitor quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitors quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitor quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitors quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitor quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitors quercetinase inhibitor quercetinase inhibitors CHEBI:85051 EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor CHEBI:85051 Any EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of D-amino-acid oxidase (EC 1.4.3.3). Wikipedia:D-amino_acid_oxidase chebi_ontology D-amino-acid oxidase (EC 1.4.3.3) inhibitor D-amino-acid oxidase (EC 1.4.3.3) inhibitors D-amino-acid oxidase inhibitor D-amino-acid oxidase inhibitors D-amino-acid:oxygen oxidoreductase (deaminating) inhibitor D-amino-acid:oxygen oxidoreductase (deaminating) inhibitors EC 1.4.3.3 (D-amino-acid oxidase) inhibitors EC 1.4.3.3 inhibitor EC 1.4.3.3 inhibitors L-amino acid:O2 oxidoreductase inhibitor L-amino acid:O2 oxidoreductase inhibitors new yellow enzyme inhibitor new yellow enzyme inhibitors ophio-amino-acid oxidase inhibitor ophio-amino-acid oxidase inhibitors CHEBI:85052 EC 1.4.3.3 (D-amino-acid oxidase) inhibitor CHEBI:85052 Any metabolite (endogenous or exogenous) found in human blood serum samples. chebi_ontology human blood serum metabolites CHEBI:85234 human blood serum metabolite CHEBI:85234 Any fatty acyl-CoA in which the 11-12 bond of the fatty acyl group is saturated. chebi_ontology C33H57N7O17P3SR CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCC[*] CHEBI:85348 11,12-saturated fatty acyl-CoA CHEBI:85348 Any antifungal agent used to prevent or treat fungal infections in humans or animals. Wikipedia:Antifungal chebi_ontology anti-fungal drug anti-fungal drugs anti-fungal medication anti-fungal medications antifungal drugs antifungal medication antifungal medications pharmaceutical fungicide pharmaceutical fungicides CHEBI:86327 antifungal drug CHEBI:86327 Heteroorganic entities that are plant metabolites which have significant antifungal properties. chebi_ontology botanical anti-fungal agents CHEBI:86494 botanical anti-fungal agent CHEBI:86494 An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5'-diphosphate. Reaxys:7558006 5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine chebi_ontology 425.18630 C10H13N5O10P2 InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O XTWYTFMLZFPYCI-KQYNXXCUSA-L CHEBI:87518 ADP(2-) CHEBI:87518 A monoterpenoid that is oct-7-en-2-ol substituted by a methyl group at position 2 and a methylidene group at position 6 respectively. CAS:543-39-5 HMDB:HMDB36107 PMID:18640191 PMID:24305835 PMID:25221621 Reaxys:1744474 2-methyl-6-methylideneoct-7-en-2-ol chebi_ontology 154.24930 C10H18O CC(C)(O)CCCC(=C)C=C DUNCVNHORHNONW-UHFFFAOYSA-N InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3 CHEBI:87529 myrcenol CHEBI:87529 A member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. CAS:475-03-6 Reaxys:1862519 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene chebi_ontology 174.28200 C13H18 Cc1ccc2c(CCCC2(C)C)c1 InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3 LTMQZVLXCLQPCT-UHFFFAOYSA-N CHEBI:87604 1,1,6-trimethyltetralin CHEBI:87604 An aldehyde that is furan substituted by a formyl group at position 3. CAS:498-60-2 PMID:21050023 PMID:23452467 Reaxys:105852 furan-3-carbaldehyde chebi_ontology 96.08410 AZVSIHIBYRHSLB-UHFFFAOYSA-N C5H4O2 InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H O=Cc1ccoc1 CHEBI:87609 3-furaldehyde CHEBI:87609 Any organic amino compound that contains two or more amino groups. Wikipedia:Polyamine chebi_ontology polyamines CHEBI:88061 polyamine CHEBI:88061 Any saturated fatty acid anion containing 23 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. chebi_ontology CHEBI:88081 fatty acid anion 23:0 CHEBI:88081 Any metal cation which causes the onset of an allergic reaction. chebi_ontology allergenic metal cation allergenic metal cations allergenic metal ion allergenic metal ions metal cation allergens metal ion allergen metal ion allergens CHEBI:88186 metal cation allergen CHEBI:88186 Any drug which causes the onset of an allergic reaction. chebi_ontology allergenic drug CHEBI:88188 drug allergen CHEBI:88188 An oxolane that has formula C10H18O2. CAS:60047-17-8 HMDB:HMDB35907 KNApSAcK:C00010335 PMID:24023812 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol chebi_ontology 170.249 2,6-Dimethyl-3,6-oxido-7-octen-2-ol 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol 2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol 2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran 2-Methyl-2-vinyl-5-(2-hydroxy-2-propyl)tetrahydrofuran 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-vinyltetrahydrofuran 5-Ethenyltetrahydro-a,a,5-trimethyl-2-furanmethanol, 9CI 5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol BRHDDEIRQPDPMG-UHFFFAOYSA-N C10H18O2 C=CC1(C)CCC(C(C)(C)O)O1 FEMA 3746 Furan linalool oxide InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3 Linalool 3,6-oxide Linalool oxide Tetrahydro-2-methyl-5-(1-hydroxy-1-methylethyl)-2-vinylfuran Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfuran-2-methanol alpha,alpha,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol CHEBI:88534 Linalyl oxide CHEBI:88534 A sesquiterpene that has formula C15H24. CAS:88-84-6 HMDB:HMDB38157 KNApSAcK:C00020376 PMID:24023812 1,4-dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene chebi_ontology 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene, 9CI 204.352 C15H24 CC(C)=C1CCC(C)C=2CCC(C)C2C1 Cis-beta -guainene GIBQERSGRNPMEH-UHFFFAOYSA-N Guaia-1(5),7(11)-diene Guaiene InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3 b-Guaiene beta -cis-guaiene beta -guainene CHEBI:88873 beta-Guaiene CHEBI:88873 A catechin with (2R,3R)-configuration. CHEBI:18484 CAS:490-46-0 KEGG:C09727 KNApSAcK:C00000956 LINCS:LSM-20956 LIPID_MAPS_instance:LMPK12020003 MetaCyc:CPD-7630 PMID:10427682 PMID:7655336 Reaxys:92760 (-)-Epicatechin (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology 290.26810 C15H14O6 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N [H][C@@]1(Oc2cc(O)cc(O)c2C[C@H]1O)c1ccc(O)c(O)c1 CHEBI:90 (-)-epicatechin CHEBI:90 A glycoside that has formula C14H20O7. CAS:10338-51-9 KEGG:C06046 Salidroside chebi_ontology 300.305 C14H20O7 ILRCGYURZSFMEG-RKQHYHRCSA-N InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O Tyrosol glucoside p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside CHEBI:9009 Salidroside CHEBI:9009 A sesquiterpene lactone of the eudesmanolide group. CHEBI:244416 Beilstein:1287299 CAS:4290-13-5 KEGG:C09544 KNApSAcK:C00003363 PMID:6476889 (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one Santamarin santamarin chebi_ontology (+)-santamarine (3aS)-2,3,3abeta,4,5,5a,6,7,9abeta,9balpha-Decahydro-6alpha-hydroxy-5aalpha,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2-one (3aS,5aR,6R,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydro-3H-naphtho[1,2-b]furan-2-one (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one 248.31750 Balchanin C15H20O3 InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1 PLSSEPIRACGCBO-PFFFPCNUSA-N [H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]1(C)[C@H](O)CC=C2C santamarine CHEBI:9023 santamarin CHEBI:9023 An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1). Wikipedia:Pyruvate_carboxylase chebi_ontology EC 6.4.1.1 (pyruvate carboxylase) inhibitors EC 6.4.1.1 inhibitor EC 6.4.1.1 inhibitors pyruvate carboxylase (EC 6.4.1.1) inhibitor pyruvate carboxylase (EC 6.4.1.1) inhibitors pyruvate carboxylase inhibitor pyruvate carboxylase inhibitors pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors pyruvic carboxylase inhibitor pyruvic carboxylase inhibitors CHEBI:90318 EC 6.4.1.1 (pyruvate carboxylase) inhibitor CHEBI:90318 An indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine. 10-oxostrychnidin-19-ium chebi_ontology 335.420 C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] C21H23N2O2 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/p+1/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-O strychnine cation strychninium ion CHEBI:90700 strychnine(1+) CHEBI:90700 A nuclear receptor modulator that affects the retinoic acid receptor chebi_ontology retinoic acid receptor modulators CHEBI:90708 retinoic acid receptor modulator CHEBI:90708 Any receptor modulator acting on nuclear receptors chebi_ontology nuclear receptor modulators CHEBI:90709 nuclear receptor modulator CHEBI:90709 A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors. chebi_ontology receptor modulators CHEBI:90710 receptor modulator CHEBI:90710 An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any 3-oxoacyl-CoA; major species at pH 7.3. chebi_ontology 3-oxoacyl-CoA 832.543 C24H33N7O18P3SR [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CC(=O)*)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O CHEBI:90726 3-oxoacyl-CoA(4-) CHEBI:90726 A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3. chebi_ontology *C([O-])=O 44.010 CO2R an aromatic carboxylate CHEBI:91007 aromatic carboxylate CHEBI:91007 A morphinane alkaloid that has formula C19H23NO4. CAS:115-53-7 KEGG:C09643 KNApSAcK:C00001918 LINCS:LSM-24940 Sinomenine chebi_ontology 329.391 C19H23NO4 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O INYYVPJSBIVGPH-QHRIQVFBSA-N InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1 CHEBI:9163 Sinomenine CHEBI:9163 A lipid that has formula C18H32O2. LINCS:LSM-2181 chebi_ontology 280.446 C18H32O2 CCCCCC=CCC=CCCCCCCCC(=O)O InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20) OYHQOLUKZRVURQ-UHFFFAOYSA-N CHEBI:92157 octadeca-9,12-dienoic acid CHEBI:92157 A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Beilstein:97166 CAS:118-34-3 CAS:138-87-4 KEGG:C01533 KEGG:C17517 KNApSAcK:C00000010 KNApSAcK:C00007328 KNApSAcK:C00030167 MetaCyc:CPD-63 PMID:23620140 PMID:23666001 PMID:23678812 Reaxys:97166 Wikipedia:Syringin 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside Syringin chebi_ontology 372.36706 C17H24O9 COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CO Eleutheroside B InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 Ligustrin Lilacin MAGNOLENIN A Methoxyconiferine QJVXKWHHAMZTBY-GCPOEHJPSA-N Syrigin Syringenin Syringoside beta-Terpineol CHEBI:9380 syringin CHEBI:9380 A diterpenoid that has formula C24H39NO5. CAS:20501-56-8 KEGG:C08713 KNApSAcK:C00001669 Talatizamine chebi_ontology 421.571 BDCURAWBZJMFIK-FLDLCTCNSA-N C24H39NO5 CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14 InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1 CHEBI:9392 Talatizamine CHEBI:9392 A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. CAS:548-77-6 HMDB:HMDB42024 KEGG:C10534 KNApSAcK:C00002577 LIPID_MAPS_instance:LMPK12050385 PMID:23461431 PMID:24380276 PMID:25480515 PMID:25856699 Reaxys:305601 Wikipedia:Tectorigenin 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one chebi_ontology 300.26290 5,7,4'-trihydroxy-6-methoxyisoflavone C16H12O6 COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 OBBCRPUNCUPUOS-UHFFFAOYSA-N CHEBI:9429 tectorigenin CHEBI:9429 An oxacycle that has formula C20H24O7. https://www.ncbi.nlm.nih.gov/pubmed/17399748 https://www.ncbi.nlm.nih.gov/pubmed/5072337 CAS:38647-10-8 KEGG:C09202 KNApSAcK:C00003493 Tripdiolide chebi_ontology 376.401 C20H24O7 CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13-,14-,16+,17-,18-,19+,20+/m0/s1 PUJWFVBVNFXCHZ-SQEQANQOSA-N CHEBI:9740 Oliver He and Jiahao Wang on 4/18/2017: Triptolide was not classified by ChEBI as diterpene triepoxide as it should be (Ref: https://www.ncbi.nlm.nih.gov/pubmed/5072337). Therefore, we modified the definition here. tripdiolide CHEBI:9740 An oxacycle that has formula C20H24O6. https://www.ncbi.nlm.nih.gov/pubmed/17097618 https://www.ncbi.nlm.nih.gov/pubmed/26447544 https://www.ncbi.nlm.nih.gov/pubmed/6461212 CAS:38748-32-2 KEGG:C09204 KNApSAcK:C00003494 LINCS:LSM-5518 Triptolide chebi_ontology 360.402 C20H24O6 CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O DFBIRQPKNDILPW-CIVMWXNOSA-N InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 CHEBI:9747 Oliver He and Jiahao Wang on 4/18/2017: Triptolide was not classified by ChEBI as diterpene triepoxide as it should be (Ref: https://www.ncbi.nlm.nih.gov/pubmed/17097618). Therefore, we modified the definition here. triptolide CHEBI:9747 A gamma-lactone that has formula C15H18O6. CAS:2571-22-4 KEGG:C09570 KNApSAcK:C00003381 Tutin chebi_ontology 294.300 C15H18O6 CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O CCAZWUJBLXKBAY-ULZPOIKGSA-N InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1 CHEBI:9783 Tutin CHEBI:9783 A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. Beilstein:2228563 CAS:77-52-1 KEGG:C08988 KNApSAcK:C00003558 PMID:17516089 Reaxys:2228563 3beta-hydroxyurs-12-en-28-oic acid Ursolic acid chebi_ontology (3beta)-3-hydroxyurs-12-en-28-oic acid 456.70030 C30H48O3 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 WCGUUGGRBIKTOS-GPOJBZKASA-N malol prunol urson CHEBI:9908 ursolic acid CHEBI:9908 A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have R configuration. It is a component of Spanish verbena oil, from Verbena triphylla. CAS:18309-32-5 KEGG:C09913 PMID:24339334 Patent:US2911442 Reaxys:2042766 Wikipedia:Verbenone (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one chebi_ontology (+)-verbenone (1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one (1R,5R)-(+)-2-pinen-4-one (1R,5R)-(+)-pin-2-en-4-one (1R,5R)-2-pinen-4-one (1R,5R)-pin-2-en-4-one (1R-cis)-4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-one 150.21760 C10H14O CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C DCSCXTJOXBUFGB-SFYZADRCSA-N InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1 Verbenone d-verbenone CHEBI:9955 (R)-(+)-verbenone CHEBI:9955 DRON:00000001 the role of a material entity to prevent, diagnose, treat, or study disease and/or its effects William Hogan William Hogan clinical drug role DRON:00000005 a material entity (1) containing at least one scattered molecular aggregate as part that is the bearer of an active ingredient role and (2) that is itself the bearer of a clinical drug role William Hogan William Hogan drug product DRON:00000028 active ingredient role a role of a scattered molecular aggregate that is part of a drug product that is realized by (1) administration of the drug to an organism followed by (2) some change in the structure or functioning of some part of the organism William R. Hogan active ingredient DRON:00000030 role of a scattered molecular aggregate a role borne by a scattered molecular aggregate and realized by its grains participating in one or more processes William R. Hogan role of scattered molecular aggregate DRON:00000031 administration of a drug product to an organism a treatment that has as participants an extended organism and a drug product and that results in part of the drug product being located in the extended organism William R. Hogan drug administration IAO:0000027 data item IAO:0000030 information content entity IAO:0000078 curation status specification The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting) PERSON:Bill Bug GROUP:OBI:<http://purl.obolibrary.org/obo/obi> OBI_0000266 curation status specification IAO:0000102 data about an ontology part is a data item about a part of an ontology, for example a term Person:Alan Ruttenberg data about an ontology part NCBITaxon:123484 GC_ID:1 ncbi_taxonomy Tripterygium NCBITaxon:131567 GC_ID:1 ncbi_taxonomy biota cellular organisms NCBITaxon:1437010 GC_ID:1 PMID:11743200 PMID:11791233 ncbi_taxonomy Boreotheria Boreoeutheria NCBITaxon:1437183 GC_ID:1 ncbi_taxonomy Mesangiospermae NCBITaxon:1437201 GC_ID:1 ncbi_taxonomy Pentapetalae NCBITaxon:1461172 GC_ID:1 ncbi_taxonomy Menispermoideae NCBITaxon:1463138 GC_ID:1 ncbi_taxonomy Ranunculoideae NCBITaxon:152363 GC_ID:1 ncbi_taxonomy Sinomenium acutum NCBITaxon:158558 GC_ID:1 xun gu feng ncbi_taxonomy Aristolochia mollissima NCBITaxon:16736 GC_ID:1 ncbi_taxonomy Piperales NCBITaxon:183075 NCBITaxon:185188 GC_ID:1 ncbi_taxonomy Siegesbeckia Sigesbeckia NCBITaxon:205465 GC_ID:1 ncbi_taxonomy Tripterygium hypoglaucu Tripterygium hypoglaucum NCBITaxon:227910 GC_ID:1 ncbi_taxonomy Taxillus sutchuenensis (Lecomte) Danser Taxillus sutchuenensis NCBITaxon:228726 NCBITaxon:714464 GC_ID:1 ncbi_taxonomy Asclepias paniculata Cynanchum paniculatum Pycnostelma paniculatum Vincetoxicum paniculatum (Bunge) Kitag., non. (R.Br.) Kuntze, 1891 Vincetoxicum paniculatum, nom. illeg. Vincetoxicum pycnostelma NCBITaxon:265764 GC_ID:1 ncbi_taxonomy Acanthopanax gracilistylus Eleutherococcus gracilistylus NCBITaxon:2759 GC_ID:1 PMID:23020233 eucaryotes eukaryotes ncbi_taxonomy Eucarya Eucaryotae Eukarya Eukaryotae eukaryotes Eukaryota NCBITaxon:28545 GC_ID:1 ncbi_taxonomy Strychnos nux-vomica L. Strychnos nuxvomica Strychnos nux-vomica NCBITaxon:32524 GC_ID:1 amniotes ncbi_taxonomy Amniota NCBITaxon:33213 GC_ID:1 ncbi_taxonomy Bilateria NCBITaxon:3498 GC_ID:1 white mulberry ncbi_taxonomy Morus sinensis Morus alba NCBITaxon:35924 NCBITaxon:65562 GC_ID:1 Chinese peony common garden peony ncbi_taxonomy Paeonia albiflora Paeonia lactiflora NCBITaxon:364270 GC_ID:1 ncbi_taxonomy Apiineae NCBITaxon:36603 GC_ID:1 ncbi_taxonomy Chaenomeles NCBITaxon:3744 NCBITaxon:3473 NCBITaxon:3601 NCBITaxon:4266 GC_ID:1 ncbi_taxonomy Rosales NCBITaxon:3845 GC_ID:1 Indian coral tree ci tong dabdab ncbi_taxonomy Erythrina indica Erythrina variegata NCBITaxon:4055 GC_ID:1 ncbi_taxonomy Gentianales NCBITaxon:4056 NCBITaxon:4064 GC_ID:1 dogbane family ncbi_taxonomy Apocynaceae NCBITaxon:40917 GC_ID:1 cow parsnips ncbi_taxonomy Heracleum NCBITaxon:41768 NCBITaxon:3439 GC_ID:1 ncbi_taxonomy Ranunculales NCBITaxon:425106 GC_ID:1 ncbi_taxonomy Stephania tetrandra S.Moore Stephania tetrandra NCBITaxon:434238 GC_ID:1 terebinth turpentine-tree ncbi_taxonomy Pistacia terebinthus NCBITaxon:450288 GC_ID:1 ncbi_taxonomy Piper wallichii (Miq.) Hand.-Mazz. Piper wallichii NCBITaxon:458696 GC_ID:1 ncbi_taxonomy Tripterygium wilfordii NCBITaxon:50765 GC_ID:1 ncbi_taxonomy Gentiana macrophylla NCBITaxon:54229 NCBITaxon:488980 GC_ID:1 ncbi_taxonomy Clerodendron trichotomum Clerodendrum trichotonum Clerodendrum trichotomum NCBITaxon:69389 GC_ID:1 ncbi_taxonomy Trachelospermum jasminoides NCBITaxon:7091 GC_ID:1 domestic silkworm silk moth silkworm ncbi_taxonomy Bombyx mori NCBITaxon:71240 NCBITaxon:3399 GC_ID:1 ncbi_taxonomy Dicotyledoneae Magnoliopsida dicots dicotyledons eudicots eudicotyledons NCBITaxon:71274 GC_ID:1 Asteridae ncbi_taxonomy asterids NCBITaxon:71275 GC_ID:1 ncbi_taxonomy Rosidae rosids NCBITaxon:714477 GC_ID:1 ncbi_taxonomy Homalomena occulta NCBITaxon:748693 GC_ID:1 ncbi_taxonomy Clematis chinensis NCBITaxon:85363 GC_ID:1 ncbi_taxonomy Aconitum carmichaeli Aconitum carmichaelii NCBITaxon:8587 NCBITaxon:8588 GC_ID:1 ncbi_taxonomy Coluber dhumnades Zaocys dhumnades Zaocys dhumnades dhumnades Ptyas dhumnades NCBITaxon:91835 NCBITaxon:41939 NCBITaxon:4293 GC_ID:1 ncbi_taxonomy eurosids I fabids NCBITaxon:91882 NCBITaxon:41940 NCBITaxon:4379 GC_ID:1 ncbi_taxonomy euasterids II campanulids NCBITaxon:91888 NCBITaxon:41935 GC_ID:1 ncbi_taxonomy euasterids I lamiids NCBITaxon:9606 GC_ID:1 human man ncbi_taxonomy humans Homo sapiens NCBITaxon:9694 GC_ID:1 tiger ncbi_taxonomy Panthera tigris OAE:0000001 a pathological bodily process that occurs after a medical intervention. An adverse event is likely caused by the medical intervention; however, such a causal association is not required to be an adverse event. Melanie Courtot and YH: More work is needed on how to restrict the scope of a term to be an 'adverse event', notably regarding temporal association. When is an appropirate time interval between a medical intervention and an adverse event observed? One week, one month, one year, or a lifetime? For some well-studied medical interventions (e.g., administration of many vaccines or drugs), we probably have a general idea. For many new interventions, we don't know much. In OAE, this issue is associated with defining the 'adverse event incubation time'. YH: An adverse event is a process that has specified output of some adverse medical outcome (e.g., symptom, sign or accident) after a medical intervention (or process) (e.g., administration of drug or vaccine). The medical intervention can be an administration of a drug, a vaccine (i.e., vaccination), or a special nutritional product (for example, dietary supplement, infant formula, medical food), surgery, or usage of a medical device. YH: An adverse event is possibly induced by the medical intervention. It can be caused by the medical intervention, or may not be caused by the medical intervention. One ultimate goal (or the goal in clinics) of study adverse events is to assess if the adverse event outcome is due to the medical intervention. YH: The main scope of OAE includes: (1) represent terms and relations in the area of adverse events, (2) assess possible associations between an adverse event and a medical intervention, particularly, identify any causal effect of a medical intervention to an adverse event; and (2) understand the mechanism (including molecular mechanisms) of causal adverse events. YH: There has been discussion regarding whether the term 'side effect' is an alternative term for 'adverse event'. In AERO, the term 'AERO:adverse event' represents a subset of those adverse events for which causality has been established. In OAE, an adverse event for which causality has been established is called 'causal adverse event'. Yongqun He AE adverse reaction WEB: http://en.wikipedia.org/wiki/Adverse_event WEB: http://www.fda.gov/Safety/MedWatch/HowToReport/ucm053087.htm WEB: http://www.ncbi.nlm.nih.gov/pubmed/25093068 The OAE official website is: http://www.oae-ontology.org/. adverse event OAE:0000002 medical intervention is a planned process that has the goal of diagnosing, preventing or relieving illness or injury. YH WEB: http://wiki.answers.com/Q/What_is_medical_intervention medical intervention OAE:0000021 a skin discoloration AE which has an outcome of flushing, a sudden reddening of the face, neck, or upper chest SS, YH WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003241.htm 脸红 10016825 flushing AE CTCAE:E13771 HPO: HP_0001033 NCIt:C26775 SIDER: C0016382 OAE:0000027 an adverse event that has an outcome of abnormal sign in a musculoskeletal or connective tissue. YH, RR, JX musculoskeletal and connective tissue disorder AE WEB: http://www.cdc.gov/niosh/programs/msd/ 10028395 A musculoskeletal disorder is an injury or disorder of the muscles, nerves, tendons, joints, cartilage, or supporting structures of the upper or lower limbs, neck, or lower back that are caused, precipitated, or exacerbated by sudden exertion or prolonged exposure to physical factors such as repetition, force, vibration, or awkward posture musculoskeletal or connective tissue AE CTCAE: E13872 OAE:0000041 an injury and procedural complication AE which has an outcome of injury SS, YH 10022116 injury AE OAE:0000063 an adverse event that occurs systematically throughout the systemic circulation. This is different from local adverse event that is limited or a certain location. YH, JX systematic adverse event URL: https://en.wikipedia.org/wiki/Adverse_drug_reaction systematic AE OAE:0000081 a sensory capability AE that resuls in an uncomfortable feeling. YH discomfort AE HPO: HP_0010832 SIDER: C0234215 OAE:0000082 a reproductive system AE that occurs on the female side. YH 10038604 female reproductive system AE OAE:0000083 a reproductive system AE that occurs on the male side. YH male reproductive system AE OAE:0000084 a cardiovascular disorder AE that has a cardiac disorder outcome. SS, YH WEB: Primary Source: http://medical-dictionary.thefreedictionary.com/heart+disease Secondary Source: http://www.ncbi.nlm.nih.gov/pubmed/23091623 10007541 10061024 cardiac disorder AE HPO: HP_0001627 SIDER: C0018799 OAE:0000086 SS, YH 10012431 dermatitis AE HPO: HP_0011123 SIDER: C0011603 OAE:0000115 a role that is intrinsic to a patient and is associated with an adverse event. No causal effect between this factor and the adverse event is assumed. Examples include: age, race, organ dysfunction, disease, pregrancy, lactation, gender, and genetics. YH intrinsic factor of adverse event OAE:0000123 YH an intrinsic factor of adverse event that is the lactation of a patient. lactation factor of adverse event OAE:0000162 a peripheral neuropathy AE which has an outcome of sensory neuropathy that involves damage to nerves of the peripheral nervous system. YH, AG sensory neuropathy AE sensory neuropathy AE OAE:0000166 Tremor AE is a behavior and neurological AE that has an outcome of an involuntary trembling or quivering, and muscle contraction and relaxation. SS, YH WEB: http://www.nlm.nih.gov/medlineplus/tremor.html 10044565 tremor AE CTCAE: E12837 HPO: HP_0001337 NCIt: C38038 SIDER: C0040822 OAE:0000183 a cardiovascular disorder AE that is a result of insufficient blood flow throughout the body. Shock often accompanies severe injury or illness. physiological shock AE shock WEB: http://en.wikipedia.org/wiki/Shock_%28circulatory%29 WEB: https://www.nlm.nih.gov/medlineplus/ency/article/000039.htm 休克 10040560 Circulatory shock is not related to the emotional state of shock. circulatory shock AE OAE:0000199 an adverse event that occurs in hair, skin, or nail. hair, skin, and nail AE YH, SS, JX hair, skin or nail AE OAE:0000200 a hair, skin, and nail AE that occurs in hair. YH, SS hair AE OAE:0000201 a hair, skin, and nail AE that occurs in nail. YH, SS nail AE OAE:0000243 a sensory capability AE that results in a sensation of elevated abdominal pressure and volume DJ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0003609/ 10000060 abdominal distension AE CTCAE: E10456 HPO: HP_0003270 NCIt: C78161 SIDER: C0000731 OAE:0000268 a hematopoietic system AE that has an outcome of acute leukopenia, or lowered white blood cell count, most commonly of neutrophils causing neutropenia in circulating blood JX, DJ, SS, YH WEB: http://www.nlm.nih.gov/medlineplus/ency/article/001295.htm 粒性白血球缺乏症 10001507 agranulocytosis AE HPO: HP_0001913 SIDER: C0001824 OAE:0000275 a female reproductive system AE that is characterized by the absence of menstrual period in a woman of reproductive age DJ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmed/21942684 10001928 amenorrhoea AE HPO: HP_0000141 SIDER: C0002453 OAE:0000287 Aplastic anaemia AE is an anemia AE that occurs when the bone marrow, and the blood stem cells that reside there are damaged. This causes a deficiency of all three blood cell types (pancytopenia): red blood cells (anemia), white blood cells (leukopenia), and platelets (thrombocytopenia). DJ, SS, JX, YH aplastic anemia WEB: http://www.ncbi.nlm.nih.gov/pubmed/23292240 再生障碍性贫血 10002967 aplastic anaemia AE HPO: HP_0001915 SIDER: C0002874 OAE:0000302 a behavior and neurological AE that has an outcome of a disturbance that causes an individual to feel unsteady, giddy, woozy, or have a sensation of movement, spinning, or floating. SS, YH WEB: http://en.wikipedia.org/wiki/Balance_disorder 10049848 balance disorder AE HPO: HP_0002141 SIDER: C0575090 OAE:0000306 convulsion AE is a muscle adverse event that results in a medical condition where body muscles contract and relax rapidly and repeatedly, resulting in an uncontrolled shaking of the body SS, YH WEB: http://en.wikipedia.org/wiki/Convulsion 10010904 convulsion AE HPO: HP_0001250 SIDER: C0009951 OAE:0000307 SS, YH a movement disorder AE that has an outcome of difficulty in walking properly difficulty in walking AE OAE:0000310 dyspnoea AE is an abnormal respiration AE debilitating symptom that is the experience of unpleasant or uncomfortable respiratory sensations, shortness of breath, air hunger MedDRA: 10013968 is for "dyspnoea"; MedDRA: 10013963 is for "dyspnea". SS, YH dyspnoea AE WEB: http://en.wikipedia.org/wiki/Dyspnoea 呼吸困难 10013963 10013968 dyspnea AE CTCAE: E13368 HPO: HP_0002094 NCIt: C2998 SIDER: C0013404 UMLS CUI: C0013404 OAE:0000316 a cardiac disorder AE of the electrical conduction system that controls the heart rate, generates and conducts electrical impulses throughout the muscle of the heart, stimulating the heart to contract and pump blood. SS cardiac conduction disorder AE conduction disorder AE WEB: http://www.medterms.com/script/main/art.asp?articlekey=8407 10000032 10010276 conduction system disorder AE CTCAE: E10114 NCIt: C78245 OAE:0000328 an adverse event that occurs in kidney. SS, YH 10038428 kidney AE OAE:0000333 a muscle AE that has an outcome of muscular weakness AE (i.e., lack of muscle strength). SS, YH WEB: http://en.wikipedia.org/wiki/Muscular_weakness 10028372 muscular weakness AE HPO: HP_0001324 SIDER: C0151786 OAE:0000350 rhinitis AE is a respiratory system inflammation characterized by runny nose,irritation and inflammation of some internal areas of the nose SS, YH runny nose WEB: http://en.wikipedia.org/wiki/Rhinitis WEB: http://medical-dictionary.thefreedictionary.com/rhinitis 10028116 rhinitis AE HPO: HP_0002257 SIDER: C0035455 OAE:0000361 an abnormal body temperature AE which has an outcome of fever YH, SS, MW body temperature increased AE febrile response pyrexia AE Axelrod YK1, Diringer MN. Temperature management in acute neurologic disorders. Neurol Clin. 2008 May;26(2):585-603, xi. doi: 10.1016/j.ncl.2008.02.005. PMID: 18514828. WEB: http://en.wikipedia.org/wiki/Pyrexia 10005911 10016558 10037660 Fever is a frequent medical sign that describes an increase in internal body temperature to levels above normal. Fever is characterized as a temporary elevation in the body's thermoregulatory set-point, usually by about 1-2 °F). fever AE CTCAE: E11102 NCIt: C3038 OAE:0000362 a skin AE that shows the symptom of rash, i.e., an abnormal change in skin color, appearance, or texture. A rash may cause the skin to change color, itch, become warm, bumpy, dry, cracked or blistered, swell and may be painful. YH URL: http://en.wikipedia.org/wiki/Rash URL: http://www.webmd.com/skin-problems-and-treatments/guide/common-rashes Wick JY. Drug-induced rash: nuisance or threat? Consult Pharm. 2013 Mar;28(3):160-6. PMID: 23462025. 10037844 Drug-induced rash is the most commonly reported drug reaction. rash AE HPO: HP_0000988 SIDER: C0015230 OAE:0000363 an adverse event that has an outcome of a pathogen infection, i.e., an infection caused by a pathogen such as a virus, bacterium, or parasite. change of name from 'infection adverse event' to 'infectious adverse event' on 09/23/13 for a better clinical relevance, move 'infection adverse event' as an alternative term - SS YH, JX infectious adverse event WEB: http://medical-dictionary.thefreedictionary.com/infection infection 10021789 infection AE OAE:0000364 An AE that has an outcome of syndrome. Syndrome is the association of several clinically recognizable features, signs (observed by a physician), symptoms (reported by the patient), phenomena or characteristics that often occur together, so that the presence of one feature alerts the physician to the presence of the others. YH syndrome AE OAE:0000373 a skin adverse event that has an outcome of pruritus YH, SS, MW itch itching pruritus generalised AE WEB: http://www.ncbi.nlm.nih.gov/sites/entrez?db=mesh&cmd=DetailsSearch&term=pruritus+generalised&log$=activity 10037087 Pruritus is an itch (Latin: pruritus), i.e., an unpleasant sensation that evokes the desire or reflex to scratch. pruritus AE CTCAE:E13686 HPO: HP_0000989 NCIt:C3344 SIDER: C0033774 OAE:0000374 a sensory capability AE that has an outcome of pain in a patient YH, MW 10033371 pain AE CTCAE: E11167 HPO: HP_0010833 NCIt: C3303 SIDER: C0030193 OAE:0000375 a pain AE that has outcome of myalgia. Myalgia means "muscle pain" and is a symptom of many diseases and disorders. YH, MW muscle pain AE 10028411 myalgia AE CTCAE:E12485 HPO: HP_0003326 NCIt:C27009 SIDER: C0231528 OAE:0000376 Urticaria AE is a rash AE notable for dark red, raised, itchy bumps. YH, MW hives 10046735 urticaria AE CTCAE:E13746 HPO: HP_0001025 NCIt:C3432 SIDER: C0042109 OAE:0000377 a pain AE that has an outcome of headache YH, MW 10019211 headache AE CTCAE: E12678 HPO: HP_0002315 NCIt: C34661 SIDER: C0018681 OAE:0000378 an AE that occurs in respiratory system. I created this term and make it to be an umbrella term for different disorder terms related to respiratory system. --Oliver He YH respiratory system AE OAE:0000379 a leukocyte cell number abnormal AE that has an outcome of greater than normal number of leukocytes, or nucleated cells of the myeloid or lymphoid lineages, found in blood or other tissue According to the Vaccine Adverse Event Reporting System (VAERS), 'leukocytosis' is an adverse event that was mentioned in 1,021 VAERS reports (0.8%) during1991-2001 (Reference: PMID: 12825543). SS, YH, EB leukocytosis AE white blood cell count increased AE WEB: http://en.wikipedia.org/wiki/Leukocytosis 10024378 10047943 leukocyte cell number increased AE CTCAE: E10048 MP: MP_0000218 NCIt: C35524 OAE:0000381 a cardiovascular disorder AE that has an outcome of abnormal blood pressure, representing altered tension of the blood within the systemic arteries abnormal blood pressure AE MP: MP_0000230 OAE:0000388 a sensory capability AE that has an outcome of dizziness YH, SS, MW 10013573 Dizziness describes a number of subjective symptoms, which the patient may describe as feelings of lightheadedness, floating, wooziness, giddiness, confusion, disorientation or loss of balance. Medical terms include vertigo, disequilibrium, pre-syncope or syncoptic episode. Causes may stem from a variety of failures of equilibrioception, hypotension, cerebral hypoxia or a reaction to environmental chemicals or drugs. dizziness AE CTCAE:E12631 HPO: HP_0002321 NCIt:C37943 SIDER: C0012833 OAE:0000391 a behavior and neurological AE that has an outcome of somnolence YH, SS, MW drowsiness 10041349 Somnolence (or "drowsiness") is a state of near-sleep, a strong desire for sleep, or sleeping for unusually long periods (c.f. hypersomnia). somnolence AE CTCAE:E12814 HPO: HP_0001262 NCIt:C26754 SIDER: C2830004 OAE:0000392 a sensory neuropathy AE that shows a sensation of tingling, pricking, or numbness of a person's skin with no apparent long-term physical effect. YH, MW paraesthesia AE WEB: http://en.wikipedia.org/wiki/Paraesthesia 10033775 10033987 Paresthesia is more generally known as the feeling of "pins and needles" or of a limb being "asleep" (although this is not directly related to the phenomenon of sleep). The manifestation of paresthesia may be transient or chronic. paresthesia AE CTCAE: E12758 NCIt: C28177 OAE:0000396 a gustatory system AE which demonstrates a decreased sensation of appetite. YH, MW anorexia nervosa AE decreased appetite AE WEB: http://www.mayoclinic.org/diseases-conditions/anorexia/basics/definition/con-20033002 厌食症 10002646 10002649 10061428 anorexia AE CTCAE: E12252 HPO: HP_0002039 NCIt: C2875 SIDER: C0003123 OAE:0000398 an abnormal respiration AE that shows a sudden and often repetitively occurring reflex to keep the throat and airways clear YH, SS, MW coughing AE WEB: http://medical-dictionary.thefreedictionary.com/cough WEB: http://www.nlm.nih.gov/medlineplus/cough.html cough 10011224 cough AE CTCAE:E13364 NCIt:C37935 OAE:0000401 a skin adverse event that has an outcome of sweating According to the Vaccine Adverse Event Reporting System (VAERS), 'sweating' is an adverse event that was mentioned in 2,301 VAERS reports (1.8%) during1991-2001 (Reference: PMID: 12825543). YH sweating AE HPO: HP_0000975 SIDER: C0038990 OAE:0000402 According to the Vaccine Adverse Event Reporting System (VAERS), 'abdominal pain' is an adverse event that was mentioned in 2,254 VAERS reports (1.8%) during1991-2001 (Reference: PMID: 12825543). YH, SS WEB: http://en.wikipedia.org/wiki/Abdominal_pain 10000081 a pain AE that is observed in abdominal cavity abdominal pain AE HPO: HP_0002027 SIDER: C0000737 OAE:0000403 an abnormal blood pressure AE that has an outcome of sustained high blood pressure at a level that is likely to result in cardiovascular disease and/or other pathological states YH, SS, MW blood pressure increased WEB: http://www.ncbi.nlm.nih.gov/pubmed/21722707 10005750 10020772 hypertension AE CTCAE: E13785 HPO: HP_0000822 MP: MP_0000231 NCIt: C3117 SIDER: C0020538 OAE:0000411 a respiratory system AE which has an outcome of asthma YH 哮喘 10003553 Asthma is a common chronic lung disease. It has been defined by the National Heart, Lung and Blood Institute as a common chronic disorder of the airways that is complex and characterized by variable and recurring symptoms, airflow obstruction, bronchial hyperresponsiveness (bronchospasm), and an underlying inflammation. asthma AE HPO: HP_0002099 SIDER: C0004096 OAE:0000414 a pain AE that has an outcome of back pain According to the Vaccine Adverse Event Reporting System (VAERS), 'back pain' was mentioned in 1,277 VAERS reports (1.0%) during1991-2001 (Reference: PMID: 12825543). YH, MW 10003988 back pain AE CTCAE:E12388 HPO: HP_0003418 NCIt:C41830 SIDER: C0004604 OAE:0000416 a hemorrhage AE that has an outcome of gastrointestinal hemorrhage gastrointestinal haemorrhage AE WEB: http://medical-dictionary.thefreedictionary.com/gastrointestinal+hemorrhage 10017955 bleeding in the stomach and/or the intestines gastrointestinal hemorrhage AE MP: MP_0000465 OAE:0000418 a nervous system AE that shows a damage to or disease affecting the nerves. Neuropathy is often classified according to the types or location of nerves that are affected. Neuropathy can also be classified according to the disease causing it. (For example, neuropathy from the effects of diabetes is called diabetic neuropathy. Ref: http://www.emedicinehealth.com/neuropathy/article_em.htm#types_of_neuropathy. YH, RR WEB: http://www.emedicinehealth.com/neuropathy/article_em.htm WEB: http://www.emedicinehealth.com/neuropathy/article_em.htm#types_of_neuropathy WEB: http://www.medicalnewstoday.com/articles/147963.php WEB: http://www.neuropathy.org/ 神经病变 neuropathy AE HPO: HP_0007141 SIDER: C0442874 OAE:0000423 skin discoloration AE is a skin adverse event that results in change in color of skin or mucus membranes According to the Vaccine Adverse Event Reporting System (VAERS), 'skin discoloration' is an adverse event that was mentioned in 909 VAERS reports (0.7%) during1991-2001 (Reference: PMID: 12825543). YH, SS skin discolouration AE 10040829 skin discoloration AE OAE:0000426 a behavior and neurological AE that has an outcome of disorder in speech YH 10041466 speech disorder AE HPO: HP_0006977 SIDER: C0037822 OAE:0000427 a cardiovascular disorder AE that has an outcome of hemorrhage bleeding AE haemorrhage AE WEB: http://medical-dictionary.thefreedictionary.com/hemorrhage 10055798 loss of blood from the vascular compartment to the exterior or into nonvascular body space as a result of rupture or severance of the blood vessels hemorrhage AE MP: MP_0001914 OAE:0000430 an abnormal digestion AE which has an outcome of nausea and vomiting According to the Vaccine Adverse Event Reporting System (VAERS), 'nausea and vomiting' is an adverse event that was mentioned in 812 VAERS reports (0.6%) during1991-2001 (Reference: PMID: 12825543). This term will most likely removed since it is just a combination of nausea and vomiting. YH nausea and vomiting AE OAE:0000435 a musculoskeletal system AE that occurs in muscle. YH muscle AE OAE:0000436 an adverse event that occurs in liver, biliary, and pancreatic areas. YH, JX liver, biliary, and pancreatic disorder AE URL: http://www.ijhpd.com/ WEB: http://www.uchospitals.edu/online-library/content=P00670 hepatobiliary or pancreatic AE OAE:0000439 an AE that occurs in digestive system. YH digestive system AE OAE:0000440 a paralysis AE that has an outcome of paralysis in face According to the Vaccine Adverse Event Reporting System (VAERS), 'facial paralysis' was mentioned in 580 VAERS reports (0.5%) during1991-2001 (Reference: PMID: 12825543). YH facial paralysis AE HPO: HP_0007209 SIDER: C0015469 OAE:0000443 an AE that occurs in eye. YH eye disorder AE 10015916 eye AE HPO: HP_0000496 SIDER: C0015397 OAE:0000449 a rash AE which shows red, target-shaped or "bulls-eye" patches or sores on the skin. YH, MW WEB: http://kidshealth.org/parent/infections/skin/erythema_multiforme.html WEB: https://en.wikipedia.org/wiki/Erythema_multiforme 10015218 The erythema multiforme rash usually begins on the arms, hands, legs, and feet, but you might also find it on the face, neck, and body. It also can affect the lips and inside the mouth. It usuallys follows an infection or drug exposure. erythema multiforme AE CTCAE:E13627 HPO: HP_0010783 NCIt:C3024 SIDER: C0014742 OAE:0000455 a digestive system AE which has an outcome of a gastrointestinal disorder According to the Vaccine Adverse Event Reporting System (VAERS), 'gastrointestinal disorder' is an adverse event that was mentioned in 449 VAERS reports (0.3%) during1991-2001 (Reference: PMID: 12825543). YH gastrointestinal disorder AE HPO: HP_0011024 SIDER: C0017178 OAE:0000461 a cardiac disorder AE that has an outcome of heartarrest, the abrupt cessation of normal circulation of the blood due to failure of the heart to contract effectively during systole. YH cardiopulmonary arrest circulatory arrest heart arrest AE WEB: http://en.wikipedia.org/wiki/Myocardial_infarction WEB: http://medical-dictionary.thefreedictionary.com/cardiac+arrest 10007515 10007617 10028596 cardiac arrest CTCAE: E10101 NCIT: C50479 OAE:0000464 a liver related investigation result abnormal AE which shows an abnormal test result in a liver function test, indicating aberrant function of liver. According to the Vaccine Adverse Event Reporting System (VAERS), 'liver function tests abnormal' was mentioned in 717 VAERS reports (0.6%) during1991-2001 (Reference: PMID: 12825543). WEB: http://medical-dictionary.thefreedictionary.com/hepatic+function 10019670 10024690 liver function test abnormal AE MP: MP_0000609 OAE:0000465 an AE that occurs in ear. YH ear disorder AE ear AE HPO: HP_0000598 SIDER: C0013447 OAE:0000466 an infection AE that results in detrimental colonization of a host organism by virus YH, SS viral infection WEB: http://en.wikipedia.org/wiki/Viral_infection viral infection AE HPO: HP_0005364 SIDER: C0042769 OAE:0000468 a liver/biliary system AE which has an outcome of jaundice, which is the clinical manifestation of hyperbilirubinemia, with deposition of bile pigments in the skin, resulting in yellowish staining of the skin and mucous membranes According to the Vaccine Adverse Event Reporting System (VAERS), 'jaundice' is an adverse event that was mentioned in 317 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543). SS, YH icterus AE WEB: http://en.wikipedia.org/wiki/Jaundice 10023126 jaundice AE HPO: HP_0000952 MP: MP_0000611 SIDER: C0022346 OAE:0000471 a sensory capability AE that has an outcome of palpitation YH WEB: http://en.wikipedia.org/wiki/Palpitations 10033557 A palpitation is an abnormal awareness of the beating of the heart, whether it is too slow, too fast, irregular, or at its normal frequency. palpitation AE OAE:0000476 an AE that occurs in immune system. According to the Vaccine Adverse Event Reporting System (VAERS), 'immune system disorder' was mentioned in 292 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543). YH immune system disorder AE immune system AE HPO: HP_0002715 SIDER: C0021053 OAE:0000480 Thrombocytopenic purpura AE are purpura AE associated with a reduction in circulating blood platelets which can result from a variety of causes. According to the Vaccine Adverse Event Reporting System (VAERS), 'thrombocytopenic purpura'; is an adverse event that was mentioned in 267 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543). YH 10043561 thrombocytopenic purpura AE HPO: HP_0004829 SIDER: C0857305 OAE:0000482 a behavior and neurological AE that has an outcome of amnesia in a patient YH, MW 10001949 Amnesia is a short term memory condition in which memory is disturbed. In simple terms it is the loss of memory. amnesia AE CTCAE:E12585 HPO: HP_0002354 NCIt:C2867 SIDER: C0002622 OAE:0000487 a skin discoloration AE which has an outcome of purpura According to the Vaccine Adverse Event Reporting System (VAERS), 'purpura'; is an adverse event that was mentioned in 251 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543). YH, MW 紫癜 10037549 Purpura is the appearance of red or purple discolorations on the skin that do not blanch on applying pressure. They are caused by bleeding underneath the skin. This is common with typhus and can be present with meningitis caused by meningococcal meningitis or septicaemia. Reference: http://en.wikipedia.org/wiki/Purpura. purpura AE CTCAE:E13690 HPO: HP_0000979 NCIt:C78787 SIDER: C0034150 OAE:0000491 a sensory capability AE that has an outcome of coma YH 10010071 Coma is a profound state of unconsciousness. A comatose person cannot be awakened, fails to respond normally to pain or light, does not have sleep-wake cycles, and does not take voluntary actions. coma AE HPO: HP_0001259 SIDER: C0009421 OAE:0000493 an AE that occurs in cardiovascular system. YH cardiovascular disorder AE 10007649 cardiovascular AE HPO: HP_0001626 SIDER: C0007222 OAE:0000495 a urinary system AE that has an outcome of urine abnormality AE YH urine abnormality AE HPO: HP_0011036 SIDER: C0235639 OAE:0000499 an abnormal salivary gland physiology AE which has an outcome of increased salivation, meaning greater than normal amounts of flowing saliva According to the Vaccine Adverse Event Reporting System (VAERS), 'increased salivation' is an adverse event that was mentioned in 336 VAERS reports (0.3%) during1991-2001 (Reference: PMID: 12825543). increased salivation AE MP: MP_0000622 OAE:0000503 a muscle spasm AE which has an outcome of generalized spasm, which is an involuntary contraction of a muscle or group of muscles. Spasms may involve skeletal muscle (MUSCLE, SKELETAL) or smooth muscle (MUSCLE, SMOOTH). YH generalized spasm AE OAE:0000505 a digestive system AE which has an outcome of dry mouth, which is dryness of the mouth resulting from reduced salivary secretion According to the Vaccine Adverse Event Reporting System (VAERS), 'dry mouth'; is an adverse event that was mentioned in 171 VAERS reports (0.1%) during1991-2001 (Reference: PMID: 12825543). YH xerostomia 10013781 dry mouth AE CTCAE: E10578 HPO: HP_0000217 NCIt: C26917 SIDER: C0043352 OAE:0000508 a hemorrhage AE that has an outcome of epistaxis YH, MW nosebleed 10015090 Epistaxis is the relatively common occurrence of hemorrhage from the nose, usually noticed when the blood drains out through the nostrils. epistaxis AE CTCAE:E13374 HPO: HP_0000421 NCIt:C26766 SIDER: C0014591 OAE:0000511 a digestive system AE which has an outcome of abnormal salivary gland physiology, which is any functional anomaly of any of the glands in the mouth that secrete saliva abnormal salivary gland physiology AE MP: MP_0005310 OAE:0000518 a musculoskeletal system AE that occurs in the bone YH bone disorder 10005956 bone AE HPO: HP_0000924 SIDER: C0005940 OAE:0000521 a muscle adverse event which has an outcome of muscle spasm, which is an involuntary and often painful muscle contraction or cramps having a number of causes ranging from nutritional deficiency to serious nervous system conditions SS, YH WEB: http://en.wikipedia.org/wiki/Spasm 10028334 muscle spasm AE MP: MP_0000743 OAE:0000532 a digestive system AE which has an outcome of abnormal stool According to the Vaccine Adverse Event Reporting System (VAERS), 'abnormal stools' was mentioned in 111 VAERS reports (<0.1%) during1991-2001 (Reference: PMID: 12825543). YH abnormal stool AE OAE:0000539 a movement disorder AE that results in the loss of power of voluntary movement in a muscle through injury or disease of its nerve supply According to the Vaccine Adverse Event Reporting System (VAERS), 'paralysis' is an adverse event that was mentioned in 574 VAERS reports (0.4%) during1991-2001 (Reference: PMID: 12825543). SS, YH WEB: https://www.nlm.nih.gov/medlineplus/paralysis.html 瘫痪 10033799 paralysis AE HPO: HP_0010549 MP: MP_0000753 SIDER: C0522224 OAE:0000542 According to the Vaccine Adverse Event Reporting System (VAERS), 'ataxia' is an adverse event that was mentioned in 555 VAERS reports (0.4%) during1991-2001 (Reference: PMID: 12825543). YH, MW 10003591 a movement disorder AE that has an outcome of ataxia, inability to coordinate voluntary muscular movements ataxia AE CTCAE:E12597 HPO: HP_0001251 MP: MP_0001393 NCIt:C26702 SIDER: C0004134 OAE:0000543 a hair, skin, and nail AE that occurs in skin. YH WEB: http://www.thefreedictionary.com/skin+disorder 10040831 skin AE OAE:0000544 a movement disorder AE that has an outcome of unusual or distinctive way of walking According to the Vaccine Adverse Event Reporting System (VAERS), 'abnormal gait' is an adverse event that was mentioned in 998 VAERS reports (0.8%) during1991-2001 (Reference: PMID: 12825543). SS, YH gait disturbance AE WEB: http://www.ncbi.nlm.nih.gov/pubmed/21224774 10017577 abnormal gait AE CTCAE: E11112 MP: MP_0001406 NCIt: C78303 OAE:0000546 a homeostasis AE which has an outcome of abnormal fluid regulation, which is any anomaly in the control of intracellular and/or extracellular fluid abnormal fluid regulation AE MP: MP_0001784 OAE:0000550 a hematopoietic system AE which has an outcome of anemia, which is less than normal levels of red blood cells and/or hemoglobin within red blood cells, or volume of packed red blood cells in the bloodstream, resulting in insufficient oxygenation of tissues and organs anaemia AE WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001586/ 10002034 10002272 anemia AE CTCAE: E10010 MP: MP_0001577 NCIt: C2869 OAE:0000551 an abnormal blood pressure AE that has an outcome of sustained low blood pressure at a level that is likely to result in cardiovascular disease and/or other pathological states YH, MW blood pressure decreased, low blood pressure 10005734 10021097 hypotension AE CTCAE: E13791 HPO: HP_0002615 MP: MP_0001596 NCIt: C3128 SIDER: C0020649 OAE:0000554 a digestive system AE which has an outcome of abnormal digestion, which is an altered ability of the mechanical, chemical, and enzymatic processes of the body to convert ingested food into material suitable for assimilation for synthesis of tissues or liberation of energy abnormal digestion AE MP: MP_0001664 OAE:0000555 an AE that occurs in the homeostasis system. anomaly in the processes involved in the maintenance of an internal equilibrium of various functions and chemical or protein composition of the fluids and tissues homeostasis AE MP: MP_0001764 OAE:0000556 an abnormal fluid regulation AE which has an outcome of edema, which is an accumulation of an excessive amount of watery fluid in cells or intercellular tissues oedema, swelling, dropsy WEB: http://en.wikipedia.org/wiki/Oedema WEB: http://en.wikipedia.org/wiki/Swelling_(medical) 10016807 10030095 10042674 edema AE MP: MP_0001785 OAE:0000557 an immune system disorder AE that results in complex biological response of vascular tissues to harmful stimuli, such as pathogens, damaged cells, or irritants. Inflammation is a protective attempt by the organism to remove the injurious stimuli as well as initiate the healing process for the tissue greater than expected response to injury, infection, or insult. SS, YH WEB: http://en.wikipedia.org/wiki/Inflammation 10061218 inflammation AE HPO: HP_0007891 MP: MP_0001846 SIDER: C0021368 OAE:0000564 an inflammation AE which occurs in the respiratory system, which is reflected with the local accumulation of fluid, plasma proteins, and leukocytes in the respiratory system respiratory system inflammation AE MP: MP_0002405 OAE:0000565 an inflammation AE that has an outcome of vasculitis, which is an inflammation of a blood or lymph vessel It's an inflammation. YH, MW 10047115 vasculitis AE CTCAE:E13837 HPO: HP_0002633 MP: MP_0001864 NCIt:C26912 SIDER: C0042384 OAE:0000568 a hypersensitivity AE which results in an allergic response showing a marked increase in reactivity to an antigen upon subsequent exposure. JX, LW, YH allergic reaction AE allergic response AE anaphylactic reaction AE WEB: http://en.wikipedia.org/wiki/Allergy 变态反应 过敏反应 10001718 10001738 allergy AE CTCAE: E11248 MP: MP_0001878 NCIt: C3114 OAE:0000570 an AE that occurs in nervous system. KY, YH nervous system disorder AE URL: http://www.hopkinsmedicine.org/healthlibrary/conditions/nervous_system_disorders/overview_of_nervous_system_disorders_85,P00799/ 10029202 nervous system AE MP: MP_0003633 OAE:0000571 a respiratory system AE which has an outcome of abnormal respiration, an anomaly in the movement of gases into and out of the lung According to the Vaccine Adverse Event Reporting System (VAERS), 'respiratory disorder' is an adverse event that was mentioned in 556 VAERS reports (0.4%) during1991-2001 (Reference: PMID: 12825543). Not sure if it is same as respiratory system disorder or abnormal respiration. --Oliver He abnormal respiration AE MP: MP_0001943 OAE:0000572 an abnormal respiration AE which has an outcome of apnea, temporary cessation of breathing; sometimes episodic According to the Vaccine Adverse Event Reporting System (VAERS), 'apnea' is an adverse event that was mentioned in 1,618 VAERS reports (1.3%) during1991-2001 (Reference: PMID: 12825543). JX, YH, MW MedDRA: 10002974 is for "apnoea"; MedDRA: 10002972 is for "apnea". apnoea AE respiratory arrest AE WEB: http://medical-dictionary.thefreedictionary.com/apnea apnea AE CTCAE: E13306 MP: MP_0001957 NCIt: C26698 UMLS CUI: C0003578 OAE:0000573 an ear disorder AE which has an outcome of deafness, which is an inability to hear 10011878 deafness AE HPO: HP_0000365 MP: MP_0001967 SIDER: C0011053 OAE:0000574 an adverse event that occurs in a gustatory system YH, JX gustatory system AE MP: MP_0001985 OAE:0000578 an eye disorder AE which has an outcome of abnormal vision, which is an inability or decreased ability to see abnormal vision AE MP: MP_0002090 OAE:0000579 a behavior and neurological AE that shows a sudden surge of electrical activity in the brain. YH, JX, YH WEB: http://www.healthline.com/symptom/seizures 突然发作 10039906 10039910 seizure AE CTCAE: E12804 MP: MP_0002064 NCIt: C2962 OAE:0000580 an adverse event that has an outcome of an abnormal behavior and neurological phenotype. YH, JX behavior AE behavioral AE behavioral disorder AE disruptive behavioral disorder AE WEB: http://www.psychguides.com/guides/behavioral-disorder-symptoms-causes-and-effects/ any anomaly in the actions, reactions, or performance of an organism in response to external or internal stimuli compared to controls behavioral and neurological AE MP: MP_0004924 OAE:0000581 a behavior and neurological AE that has an outcome of altered ability to coordinate voluntary movement or repetitive, compulsive movements 10028035 movement disorder AE HPO: HP_0100022 MP: MP_0002066 SIDER: C0026650 OAE:0000582 a behavior and neurological AE that has an outcome of inability or altered ability to respond to a sensory stimulus sensory capability AE MP: MP_0002067 OAE:0000584 Hypersensitivity AE is a immune system AE that is a set of undesirable reactions produced by the normal immune system, including allergies and autoimmunity. These reactions may be damaging, uncomfortable, or occasionally fatal. JX, LW, YH hypersensitivity reaction AE WEB: http://en.wikipedia.org/wiki/Hypersensitivity 超敏反应 10020751 hypersensitivity AE HPO: HP_0100326 MP: MP_0002148 SIDER: C0020517 OAE:0000587 an abnormal respiration AE which has an outcome of hypoventilation, i.e., reduced alveolar ventilation relative to metabolic carbon dioxide production; results in alveolar carbon dioxide pressure increasing above normal According to the Vaccine Adverse Event Reporting System (VAERS), 'hypoventilation' is an adverse event that was mentioned in 321 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543). QL, YH respiratory depression AE WEB: https://en.wikipedia.org/wiki/Hypoventilation 呼吸抑制 10021133 10038678 hypoventilation AE HPO: HP_0007110 MP: MP_0002321 SIDER: C0398353 OAE:0000588 an adverse event which occurs in a hematopoietic system, which is any structural or developmental anomaly of the blood cells or the organs associated with the development and formation of blood cells hematopoietic system AE MP: MP_0002396 OAE:0000589 an eye disorder AE which has an outcome of mydriasis, which is dilation of one or both pupils regardless of light conditions 10028521 mydriasis AE HPO: HP_0011499 MP: MP_0002546 SIDER: C0026961 OAE:0000590 an arrhythmia AE that has an outcome of greater than average resting heart beats per minute, usually measured by the number of times the heart ventricles contract per unit of time, usually per minute tachycardia WEB: http://en.wikipedia.org/wiki/Tachycardia 10019303 increased heart rate AE MP: MP_0002626 OAE:0000592 a muscle spasm AE that has an outcome of opisthotonus YH 10030899 opisthotonus is a form of tetanic spasm in which the head, neck and spine are bent backward and the body is bowed forward opisthotonus AE HPO: HP_0002179 MP: MP_0002880 SIDER: C0151818 OAE:0000597 a digestive system AE which has an outcome of dysphagia, which is a behavior and neurological AE that has an outcome of difficulty in swallowing food or liquid 10013950 dysphagia AE CTCAE: E10621 HPO: HP_0002015 MP: MP_0003158 NCIt: C2980 SIDER: C0011168 OAE:0000601 regurgitation AE 10047700 an abnormal digestion AE which has an outcome of vomiting, the retrograde expulsion of gastric contents through the oral cavity vomiting AE CTCAE: E11068 HPO: HP_0002013 MP: MP_0003260; MDR: 10047700 NCIt: C3442 SIDER: C0042963 OAE:0000603 a digestive system AE that has an outcome of abnormal defecation, an anomaly in the production and excretion of feces abnormal defecation AE MP: MP_0003866 OAE:0000604 a urinary system AE that has an outcome of the symptom of urinary incontinence, which is the inability to control the urinary excretory functions. YH, MW MedDRA: 10046543 WEB: http://www.nlm.nih.gov/medlineplus/urinaryincontinence.html urinary incontinence AE CTCAE: E13042 HPO: HP_0000020 MP: MP_0003280 NCIt: C78497 SIDER: C0042024 OAE:0000607 an hearing disorder AE that shows a persistent sensation of buzzing, ringing, clicking, or other noises in the ear 10043882 tinnitus AE CTCAE: E10287 HPO: HP_0000360 MP: MP_0003741 NCIt: C50772 SIDER: C0040264 OAE:0000609 a digestive system AE which has an outcome of mouth mucosal ulceration, which is lesions through the mucous membrane of the mouth, usually associated with loss of tissue According to the Vaccine Adverse Event Reporting System (VAERS), 'mouth ulceration' was mentioned in 246 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543). mouth mucosal ulceration AE MP: MP_0003747 OAE:0000616 an abnormal defecation AE that has an outcome of diarrhea, which is abnormally frequent discharge of semi-solid or fluid fecal matter from the bowel diarrhoea AE WEB: http://medical-dictionary.thefreedictionary.com/diarrhea 10012735 diarrhea AE MP: MP_0005036 OAE:0000619 a urinary system AE that results in the presence of blood in the urine YH, SJ, MW UMLS CUI: C0018965 (hematuria AND haematuria); UMLS CUI: C0947999 (blood urine presence) blood urine blood urine presence haematuria AE WEB: http://kidney.niddk.nih.gov/kudiseases/pubs/hematuria/ 10018867 10018870 10019450 Hematuria AE can be caused by menstruation, vigorous exercise, sexual activity, viral illness, trauma, or infection, such as a urinary tract infection (UTI), along with more serious disorders such as cancer, disease, and clotting. hematuria AE CTCAE: E13000 MP: MP_0005161 NCIt: C3090 OAE:0000622 an adverse event that has an outcome of urinary system AE is a functional anomaly of any of the organs involved in the production or excretion of urine YH urinary system AE MP: MP_0005502 OAE:0000624 a homeostasis AE whic has an outcome of abnomal body temperature, which is a deviation in the level of heat natural to a living being abnormal body temperature AE MP: MP_0005535 OAE:0000626 diplopia AE 10013036 an abnormal vision AE which has an outcome of double vision, which is two images perceived when only a single object is present double vision AE MP: MP_0006150 OAE:0000628 an adverse event that is indicated by an abnormal result of an investigation that uses some laboratory equipment, device, or medical technology. This term is used to replace 'lab test abnormal AE'. The reason for this is that some test, like X-ray test, is not considered by many physicians as a lab test. Therefore, we have used this new term to cover a broader scope. All terms asserted under this term represent the investigation results without defined conclusion of disease. EB, SS, YH laboratory test abnormal 10061253 investigation result abnormal AE OAE:0000630 a hemorrhage AE that has an outcome of ecchymosis 10014080 an ecchymosis is a spot caused by loss of blood from a vessel; it implies a larger size than a petechiae, and has a more diffuse border than purpura; an ecchymosis can be caused by a bruise (which implies trauma), but can also be caused by bleeding diathesis ecchymosis AE HPO: HP_0000978 MP: MP_0009276 SIDER: C0013491 OAE:0000645 Erythema AE is a skin adverse event that showns redness of the skin caused by hyperemia of the capillaries in the lower layers of the skin. SS, YH reddish skin WEB: http://en.wikipedia.org/wiki/Erythema 10015150 erythema AE HPO: HP_0010783 MP:0001190 SIDER: C0041834 OAE:0000651 reproductive system AE is an AE that occurs in the reproductive system. YH, SS reproductive system AE OAE:0000660 a cardiac disorder AE which has an outcome of abnormal heart rhythm SS, YH abnormal heartbeat AE cardiac arrhythmia AE WEB: http://www.nhlbi.nih.gov/health/health-topics/topics/arr/ 10003119 arrhythmia AE HPO: HP_0011675 MP: MP_0004085 SIDER: C0003811 OAE:0000688 a digestive system AE which has an outcome of stomach discomfort SS, YH stomach upset AE 胃部不适 10042124 stomach discomfort AE OAE:0000691 a skin AE that shows a result of skin ulcer, i.e., a sore on the skin or a mucous membrane, accompanied by the disintegration of tissue. Ulcers can result in complete loss of the epidermis and often portions of the dermis and even subcutaneous fat. SS, YH, MW skin ulcer AE WEB: http://en.wikipedia.org/wiki/Ulcer_%28dermatology%29 10040943 10040947 skin ulceration AE CTCAE: E13730 HPO: HP_0200042 NCIt: C54247 SIDER: C0037299 OAE:0000694 a urinary system investigation result abnormal AE that has an outcome of a urine analysis abnormality SS, YH, EB 10062226 urine analysis result abnormal AE OAE:0000698 SS, YH WEB: http://en.wikipedia.org/wiki/Vasodilation a cardiovascular disorder AE which has an outcome of vasodilatation, which refers to the widening of blood vessels resulting from relaxation of smooth muscle cells within the vessel walls, particularly in the large arteries, smaller arterioles and large veins. vasodilatation AE HPO: HP_0004927 SIDER: C0595862 OAE:0000723 a liver related investigation result abnormal AE that has an outcome of an abnormal amount of bilirubin in the blood DJ, SS, YH, EB WEB: http://medical-dictionary.thefreedictionary.com/bilirubin 10058477 blood bilirubin level abnormal AE OAE:0000724 a blood bilirubin level abnormal AE with an outcome of a increased amount of bilirubin, or a yellow breakdown product (broken down hemoglobin) of normal heme catabolism, in the blood DJ, SS, YH, EB WEB: http://medical-dictionary.thefreedictionary.com/bilirubin 10005364 blood bilirubin level increased AE CTCAE: E12096 NCIt: C27088 OAE:0000752 a bone marrow disorder AE that has an outcome of an abnormal condition in which the bone marrow is unable to produce normal amounts of red blood cells, white blood cells and platelets DJ, SS, YH, MW bone marrrow hypocellular hypocellular bone marrow WEB: http://en.diagnosispro.com/differential_diagnosis-for/bx-bone-marrow-biopsy-hypocellular/29777-154.html WEB: http://www.drugs.com/condition/bone-marrow-depression-low-blood-counts.html 10005986 10048580 Bone marrow produces three types of blood cells; red blood cells, white blood cells and platelets. Bone marrow depression is characterized by an inability or reduced ability of the bone marrow to produce these cells. A low blood count can involve just one or all three types of blood cells. bone marrow depression AE CTCAE: E10022 HPO: HP_0012145 NCIt: C35167 SIDER: C0151773 UMLS: C0151773 OAE:0000753 a hematopoietic system AE that has an outcome of disease in the bone marrow, the spongy tissue inside of some bones that contain stem cells that can develop into red blood cells, white blood cells or platelets DJ, SS, YH WEB: http://www.nlm.nih.gov/medlineplus/bonemarrowdiseases.html 10061729 bone marrow disorder AE OAE:0000779 a cardiovascular disorder AE that results in the inability of the heart to provide sufficient pump action to distribute blood flow to meet the needs of the body DJ, SS, YH heart failure WEB: http://medical-dictionary.thefreedictionary.com/cardiac+failure 10007554 10019279 cardiac failure AE CTCAE: E10124 HPO: HP_0001635 NCIt: C50577 SIDER: C0018801 OAE:0000784 a hypotension AE that has an outcome of the inability of the heart to supply enough blood to the organs of the body because of heart damage DJ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001237/ 10007625 cardiogenic shock AE OAE:0000785 a cardiovascular disorder AE that has an outcome of deterioration of the function of the myocardium, usually leads to heart failure DJ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/cardiomyopathy WEB: https://en.wikipedia.org/wiki/Cardiomyopathy 10007636 cardiomyopathy AE HPO: HP_0001638 SIDER: C0878544 OAE:0000801 a brain disorder AE with the outcome of hemorrhage or blood in the brain DJ, SS, YH cerebral haemorrhage AE 10008111 cerebral hemorrhage AE HPO: HP_0001342 SIDER: C2937358 OAE:0000808 alcohol cardiomyopathy AE OAE:0000842 a behavior and neurological AE that results in a loss of coordination DJ, SS, YH 10010947 coordination abnormal AE HPO: HP_0011443 SIDER: C0520966 OAE:0000851 an inflammation AE that has an outcome of inflamed blood vessels in the skin DJ, SS, YH WEB: http://dermnetnz.org/vascular/vasculitis.html 皮肤血管炎 10011686 cutaneous vasculitis AE HPO: HP_0200029 SIDER: C0262988 OAE:0000862 a psychiatric disorder AE that results in a decline in level of cognitive function DJ, SS, YH, MW WEB: http://medical-dictionary.thefreedictionary.com/delirium 10012218 delirium AE CTCAE:E12898 NCIt:C2981 OAE:0000883 a behavior and neurological AE that results in a loss of attention DJ, SS, YH 10013496 disturbance in attention AE HPO: HP_0007018 SIDER: C0233414 OAE:0000889 a skin AE that has an outcome of a range of adverse drugs reactions of the skin, most commonly rashes resembling measles DJ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/drug+eruption 10013687 drug eruption AE OAE:0000902 Dysuria AE is an urinary system AE that results in painful urination JX, DJ, SS, YH urination disorders AE WEB: http://medical-dictionary.thefreedictionary.com/dysuria 排尿困难 10013990 dysuria AE HPO: HP_0100518 SIDER: C0013428 OAE:0000909 a cardiac function test abnormal AE that has an outcome of abnormal electrical activity in the heart DJ, SS, YH, EB WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003868.htm 10014363 electrocardiogram result abnormal AE OAE:0000916 a digestive system AE with an outcome of inflammation in the intestine, especially the small intestine DJ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/enteritis 10014866 enteritis AE HPO: HP_0004387 SIDER: C0014335 OAE:0000937 an eye edema AE that has an outcome of swelling in either or both the lower and upper eyelids, due to fluid buildup or inflammation in the delicate tissues surrounding the eye. DJ, SS, YH eyelid oedema AE WEB: http://www.localhealth.com/article/eyelid-swelling 10015993 eyelid edema AE HPO: HP_0100539 SIDER: C0162285 OAE:0000939 a behavior and neurological AE that has an outcome of patient falling DJ, SS, YH 10016173 fall AE CTCAE: E11687 HPO: HP_0002359 NCIt: C50558 SIDER: C0085639 OAE:0000956 a bone disorder AE that has an outcome of complete or incomplete break in a bone resulting from the application of excessive force DJ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/Fractures 10017076 fracture AE CTCAE: E11703 NCIt: C3046 OAE:0000968 a gastric disorder AE that has an outcome of inflammation in the lining of the stomach DJ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0002135/ 10017853 gastritis AE CTCAE: E10733 HPO: HP_0005263 NCIt: C26780 SIDER: C0017152 OAE:0001004 a digestive system AE that has an outcome of the passage of bloody stools DJ, SS, YH haematochezia AE WEB: http://medical-dictionary.thefreedictionary.com/hematochezia 10018836 hematochezia AE HPO: HP_0002573 SIDER: C0018932 OAE:0001012 a hematopoietic system AE that has an outcome of hemolytic anemia, acute kidney failure and a low platelet count DJ, SS, YH haemolytic uraemic syndrome AE WEB: http://www.ncbi.nlm.nih.gov/pubmed/23307876 10018932 10019515 hemolytic uremic syndrome AE CTCAE: E10043 HPO: HP_0005575 NCIt: C75545 SIDER: C0019061 OAE:0001026 a liver/biliary system AE that has an outcome of the inability of the liver to perform its normal synthetic and metabolic function DJ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/liver+failure 10019663 hepatic failure AE CTCAE: E11211 HPO: HP_0001399 NCIt: C26922 SIDER: C0085605 OAE:0001035 a liver/biliary system AE that has an outcome of swelling of the liver DJ, SS, YH WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003275.htm 10019842 hepatomegaly AE HPO: HP_0002240 SIDER: C0019209 OAE:0001045 a skin AE that results in excess perspiration DJ, SS, YH, MW WEB: http://medical-dictionary.thefreedictionary.com/hyperhidrosis 10020642 hyperhidrosis AE CTCAE:E13645 HPO: HP_0000975 NCIt:C78345 SIDER: C0020458 OAE:0001047 toxin-induced cardiomyopathy AE OAE:0001124 Immune system disorder AE that results in an increase in white blood cell count as a result of stress or infection SZ, DJ, SS, YH leukaemoid reaction AE WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000575.htm 10024328 leukemoid reaction AE HPO: HP_0001909 SIDER: C0023501 OAE:0001129 a hematopoietic system AE that has an outcome of a lower than normal number of leukocytes, or nucleated cells of the myeloid or lymphoid lineages, found in blood or other tissue SZ, DJ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2154209/ 10024384 leukopenia AE HPO: HP_0001882 SIDER: C0023530 OAE:0001130 a psychiatric disorder AE that results in a disorder in the patient's desire for sexual interaction SZ, DJ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2695750/ 10061221 libido disorder AE OAE:0001135 Liver/biliary system AE that results in the disease of the liver SZ, DJ, SS, YH liver disorder WEB: http://www.nlm.nih.gov/medlineplus/liverdiseases.html 10024670 liver AE HPO: HP_0006706 SIDER: C0023895 OAE:0001166 Abnormal defecation AE that results in black feces associated with gastrointestinal hemorrhage SZ, SS, YH melaena AE WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003130.htm 10027141 melena AE HPO: HP_0002249 SIDER: C0025222 OAE:0001201 an inflammation AE that has an outcome of inflammation of the heart muscle SZ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001204/ 10028606 myocarditis AE CTCAE: E10157 NCIt: C34831 OAE:0001209 a kidney disorder AE that has an outcome of a group of symptoms that include protein in the urine, low blood protein levels, high cholesterol levels, high triglyceride levels and swelling SZ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001520/ 10029164 nephrotic syndrome AE HPO: HP_0000100 SIDER: C0027726 OAE:0001215 a nervous system AE that alters the normal activity of the nervous system due to exposure to neurotoxins (which can be natural or artificial toxic substances), and causes damage to nervous tissue SZ, SS, YH, QL toxic neuropathy AE WEB: http://en.wikipedia.org/wiki/Neurotoxicity 10029350 10067722 neurotoxicity AE OAE:0001247 Digestive System AE that results in oral lesions SZ, SS, YH 10064594 oral mucosa erosion AE OAE:0001275 Hematopoietic System AE that results in a reduction in the amount of red and white blood cells and platelets in blood SZ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/pancytopenia 10033661 pancytopenia AE HPO: HP_0001876 SIDER: C0030312 OAE:0001333 a digestive system AE that has an outcome of infection in the large intestine with an overgrowth of Clostridium difficile bacteria SZ, SS, YH WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001305/ 10037128 pseudomembranous colitis AE HPO: HP_0002583 SIDER: C1257843 OAE:0001361 a red blood cell count abnormal AE that has an outcome of a decrease in red blood cells SZ, SS, YH, EB WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003644.htm 10038153 red blood cell count decreased AE HPO: HP_0001903 SIDER: C0427457 OAE:0001365 a kidney disorder AE that results in the rapid loss or decline of kidney function As shown on the renal.org website (http://www.renal.org/guidelines/modules/acute-kidney-injury), Acute kidney injury (AKI) has now replaced the term acute renal failure. SZ, SS, YH, Izabela Birsanescu, MW AKI renal failure acute AE WEB: http://medical-dictionary.thefreedictionary.com/acute+renal+failure WEB: http://www.mayoclinic.org/diseases-conditions/kidney-failure/basics/definition/con-20024029 10038436 10069339 Acute kidney failure occurs when kidneys become unable to filter waste products from blood. acute kidney injury AE CTCAE:E12973 HPO: HP_0001919 NCIt:C26808 SIDER: C0022660 OAE:0001370 a respiratory system AE that has an outcome of a condition where lungs cannot remove all the carbon dioxide the body produces, makes body fluid too acidic SZ, SS, YH respiratory failure AE WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001154/ 10038695 respiratory acidosis AE CTCAE:E13545 HPO: HP_0004877 NCIt:C26872 SIDER: C1145670 OAE:0001397 a skin AE that has an outcome of darkening in an area of skin or nails caused by increased melanin SZ, SS, YH, MW WEB: http://medical-dictionary.thefreedictionary.com/hyperpigmentation 10040865 skin hyperpigmentation AE CTCAE:E13718 HPO: HP_0010284 NCIt:C79731 SIDER: C0162834 OAE:0001403 a behavior and neurological AE that results in irregular sleep patterns SZ, SS, YH WEB: http://medical-dictionary.thefreedictionary.com/sleep+disorder 10040984 sleep disorder AE HPO: HP_0002360 SIDER: C0851578 OAE:0001430 A gastrointestinal hemorrhage AE that has an outcome of the bleeding in the stomach YH, SS gastric haemorrhage AE 10017788 10017789 gastric hemorrhage AE CTCAE: E10706 NCIt: C54582 OAE:0001433 a psychiatric disorder AE that results in attempted suicide SZ, SS, YH, MW 10042464 suicide attempt AE CTCAE:E12969 HPO: HP_0000708 NCIt:C80111 SIDER: C0038663 OAE:0001443 an abnormal repiration AE that shows an outcome of tachypnoea (i.e., abnormally rapid breathing or respiration) SZ, SS, YH tachypnoea AE 10043089 tachypnea AE HPO: HP_0004346 SIDER: C0231835 OAE:0001448 a hematopoietic system AE that has an outcome of decrease in platelets in the blood SZ, SS, YH WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000586.htm 10043554 thrombocytopenia AE HPO: HP_0001873 SIDER: C0040034 OAE:0001484 a gastrointestinal hemorrhage AE that has an outcome of bleeding in the upper gastrointestinal tract SZ, SS, YH upper gastrointestinal haemorrhage AE WEB: Primary Source: http://medical-dictionary.thefreedictionary.com/gastrointestinal+bleeding Secondary Source: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1237869/ 10046274 10055356 upper gastrointestinal hemorrhage AE CTCAE: E11062 HPO: HP_0002239 NCIt: C78660 SIDER: C0041909 OAE:0001489 Urinary system AE that results in an inability to urinate SZ, SS, YH, MW WEB: Primary Source: http://medical-dictionary.thefreedictionary.com/urinary+retention Secondary Source: http://www.medtronic.com/patients/urinary-retention/index.htm 10046555 urinary retention AE CTCAE:E13046 HPO: HP_0000016 NCIt:C50790 SIDER: C0080274 OAE:0001493 a urine abnormality AE that has an outcome of decreased urine output, less than 500 milliliters of urine in 24 hours SZ, SS, YH WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003147.htm 10059895 urine output decreased AE CTCAE: E12217 NCIt: C80522 OAE:0001509 an abnormal vision AE that results in unclear vision SZ, SS, YH blurred vision AE WEB: Primary Source: http://www.nlm.nih.gov/medlineplus/ency/article/003029.htm Secondary Source: http://www.ncbi.nlm.nih.gov/pubmed/23111613 10005886 10047513 vision blurred AE CTCAE: E10346 HPO: HP_0000622 NCIt: C27123 SIDER: C0344232 OAE:0001527 A systematic adverse event that has an outcome of failure in mulitple organs YH, SS 10028154 multi-organ failure AE CTCAE: E11155 NCIt: C75568 OAE:0001551 an adverse event that occurs in brain. YH brain disorder AE brain AE OAE:0001570 an investigation result abnormal AE that involves an abnormal result of an investigation involving the cardiovascular system EB, YH 10007512 cardiovascular investigation result abnormal AE OAE:0001580 A physical quality that has an increased level of sodium in the blood EB, YH, MW 10005803 blood sodium increased HPO: HP_0003228 SIDER: C0595878 OAE:0001587 an investigation result abnormal AE that involves the renal and urinary tract and urinalyses EB, YH renal and urinary tract investigation and urinalysis result abnormal AE renal system investigation result abnormal AE 10038362 urinary system investigation result abnormal AE OAE:0001647 an investigation result abnormal AE that involves an abnormal result of an endocrine investigation EB 10014706 endocrine investigation result abnormal AE OAE:0001664 an investigation result abnormal AE that is characterized by an abnormal result of a hematology investigation EB MedDRA: 10057755 haematology investigation abnormal AE 10018851 hematology investigation result abnormal AE OAE:0001665 a hematology investigation result abnormal AE that results in an abnormal red blood cell profile EB 20000029 red blood cell profile abnormal AE OAE:0001666 a hematology investigation result abnormal AE that is characterized by an abnormal white blood cell profile EB 20000030 white blood cell profile abnormal AE OAE:0001673 a white blood cell profile abnormal AE that is characterized by an abnormal leukocyte cell number EB leukocyte cell number abnormal AE OAE:0001694 an investigation result abnormal AE that is characterized by an abnormal liver related investigation result EB 20000008 liver related investigation result abnormal AE OAE:0001711 a red blood cell profile abnormal AE that is characterized by an abnormal red blood cell count EB 10038151 red blood cell count abnormal AE OAE:0001750 a process quality that represents the level of severity of an adverse event. YH, SS AE severity severity of adverse event OAE:0001797 a behavior and neurological AE that has an outcome of a mental illness or psychiatiric disorder. The mental illness is a mental or behavioral pattern or anomaly that causes either suffering or an impaired ability to function in ordinary life (disability), and which is not developmentally or socially normative. YH, Izabela Birsanescu mental disorder AE WEB: http://en.wikipedia.org/wiki/Mental_disorder 10037175 psychiatric disorder AE OAE:0001836 a severity of AE that shows asymptomatic, or involves mild or minor symptoms, or is of marginal clinical relevance, or consists of clinical or diagnostic observations alone, or where intervention is not indicated, or where only non-prescription intervention is indicated. YH, SS AE severity Grade 1 Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_1_Adverse_Event Note the AE severity Grade 1 equals to CTCAE G1 AE severity. AE severity G1 CTCAE4: E10005 (Grade 1 Adverse Event) OAE:0001837 a severity of AE for which only minimal, local, or noninvasive intervention (e.g. packing, cautery) is indicated, or that limits instrumental activities of daily living (ADLs, e.g., shopping, laundry, transportation, or ability to conduct finances). YH, SS AE severity Grade 2 Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_2_Adverse_Event Note the AE severity Grade 2 equals to CTCAE G2 AE severity. AE severity G2 CTCAE4: E10006 (Grade 2 Adverse Event) OAE:0001838 a severity of AE that shows an outcome which is medically significant but not life-threatening; or for which inpatient care or prolongation of hospitalization are indicated; or that is an important medical event that does not result in hospitalization, but may jeopardize the patient or may require intervention either to prevent hospitalization, to prevent the AE from becoming life-threatening or causing death; or that is disabling; or that results in persistent or significant disability, incapacity, or limitation of self care activities of daily living (ADLs, getting in and out of bed, dressing, eating, getting around inside, bathing, or using the toilet). YH, SS AE severity Grade 3 Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_3_Adverse_Event Note the AE severity Grade 3 equals to CTCAE G3 AE severity. AE severity G3 CTCAE4: E10007 (Grade 3 Adverse Event) OAE:0001839 a severity of AE that has life-threatening consequences, for which urgent intervention is indicated, that puts the patient is at risk of death at the time of the event if immediate intervention is not undertaken, or that causes blindness or deafness (need to decide if unilateral or bilateral). YH, SS AE severity Grade 4 Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_4_Adverse_Event Note the AE severity Grade 4 equals to CTCAE G4 AE severity. AE severity G4 CTCAE4: E10008 (Grade 4 Adverse Event) OAE:0001840 a severity of AE that results in death. YH, SS AE severity Grade 5 Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_5_Adverse_Event Note the AE severity Grade 5 equals to CTCAE G5 AE severity. AE severity G5 CTCAE4: E10009 (Grade 5 Adverse Event) OAE:0001845 a gastrointestinal disorder AE that shows a problem with the stomach, ranging from indigestion and heartburn to peptic ulcers and GERD. RR, YH stomach disorder AE WEB: http://www.nlm.nih.gov/medlineplus/stomachdisorders.html 10056819 gastric disorder AE OAE:0001852 a sensory capability AE that has an outcome of numbness, a loss of sensation of feeling in a part of the body. YH, JS WEB: http://www.mayoclinic.org/symptoms/numbness/basics/definition/sym-20050938 10029829 numbness AE OAE:0001863 Hemolytic anemia AE is an anemia AE associated with hemolysis, the abnormal breakdown of red blood cells (RBCs), either in the blood vessels (intravascular hemolysis) or elsewhere in the human body (extravascular). Such an AE can be relatively harmless or life-threatening. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Hemolytic_anemia 溶血性贫血 10019493 hemolytic anemia AE OAE:0001880 Heartburn AE is a gastric disorder AE that also known as pyrosis, cardialgia, or acid indigestion. It's a burning sensation in the chest, just behind the breastbone or in the epigastrium, the upper central abdomen. The pain often rises in the chest and may radiate to the neck, throat, or angle of the jaw. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Heartburn 胃灼热（烧心） 10019326 heartburn AE OAE:0001885 Mastauxea AE is a reproductive system AE that shows enlargement of the breast. JX, LW, YH WEB: http://medical-dictionary.thefreedictionary.com/mastauxe 乳房增大 mastauxe AE OAE:0001899 Hypoactive sexual desire disorder AE is a libido disorder AE that is considered a sexual dysfunction and is characterized as a lack or absence of sexual fantasies and desire for sexual activity, as judged by a clinician. JX, LW, YH hyposexuality AE WEB: http://en.wikipedia.org/wiki/Hypoactive_sexual_desire_disorder 性欲减退 10020933 hypoactive sexual desire disorder AE OAE:0001904 Chromatos AE is a skin AE shows that deposit of pigment in a normally unpigmented area or excessive pigmentation in a normally pigmented site. JX, LW, YH WEB: http://www.merriam-webster.com/medical/chromatosis 色素沉着 chromatosis AE OAE:0001906 Allergic rhinitis AE is a rhinitis AE that is an allergic inflammation of the nasal airways. It occurs when an allergen, such as pollen, dust, or animal dander (particles of shed skin and hair) is inhaled by an individual with a sensitized immune system. JX, LW, YH, MW WEB: http://en.wikipedia.org/wiki/Allergic_rhinitis 过敏性鼻炎 10001723 allergic rhinitis AE CTCAE:E13303 NCIt:C79532 OAE:0001917 Loose stools AE is a abnormal stool AE that is usually a form of diarrhea and many conditions causing loose stool will be listed under diarrhea. It may also be related to watery stool (also within the spectrum of diarrhea). JX, LW, YH WEB: http://www.rightdiagnosis.com/sym/loose_stool.htm 稀便 10024840 loose stools AE OAE:0001919 Eructation AE is a digestive system AE that is the release of gas from the digestive tract (mainly esophagus and stomach) through the mouth. It is usually accompanied with a typical sound and, at times, an odor. JX, LW, YH belching AE burping AE ructus AE WEB: http://en.wikipedia.org/wiki/Burping 嗳气 10015137 eructation AE OAE:0001920 Glossolalia AE is a speech disorder AE that is the fluid vocalizing of speech-like syllables that lack any readily comprehended meaning. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Glossolalia 语言不清 glossolalia AE OAE:0001922 Stomachache AE is a pain AE that the pain in or near your stomach. It is a common symptom associated with transient disorders or serious disease. JX, LW, YH abdominal pain AE stomach pain AE stomachache AE 胃痛 10042126 stomach ache AE CTCAE: E10460 NCIt: C26682 OAE:0001923 Conduction block AE is a conduction system disorder AE that shows failure of impulse transmission at some point along a nerve fiber, although conduction along the segments proximal and distal to it are unaffected. JX, LW, YH WEB: http://www.medilexicon.com/medicaldictionary.php?t=10757 传导阻滞 conduction block AE OAE:0001924 Photodermatitis AE is a dermatitis AE that referred to as sun poisoning or photoallergy, is a form of allergic contact dermatitis in which the allergen must be activated by light to sensitize the allergic response, and to cause a rash or other systemic effects on subsequent exposure. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Photodermatitis 光敏性皮炎 photodermatitis AE OAE:0001927 Interstitial nephritis AE is an inflammation AE that is a form of nephritis affecting the interstitium of the kidneys surrounding the tubules. This disease can be either acute, meaning it occurs suddenly, or chronic, meaning it is ongoing and eventually ends in kidney failure. JX, LW, YH tubulointerstitial nephritis AE WEB: http://en.wikipedia.org/wiki/Interstitial_nephritis 间质肾炎 10048302 interstitial nephritis AE OAE:0001946 Dysphoria AE is a behavior and neurological AE that is a profound state of unease or dissatisfaction. In a psychiatric context, dysphoria may accompany depression, anxiety, or agitation. Common reactions to dysphoria include emotional distress or indifference. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Dysphoria 烦躁不安 10013954 dysphoria AE OAE:0001990 a herpes viral infection AE tha is caused by both Herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2). JX, LW, YH herpes catarrhalis AE WEB: http://en.wikipedia.org/wiki/Herpes_simplex 单纯疱疹 10019948 herpes simplex AE OAE:0001995 Unconsciousness AE is a sensory capability AE that is a state which occurs when the ability to maintain a awareness of self and environment is lost, it involves a complete or near-complete lack of responsiveness to people and other environmental stimuli. JX, LW, YH loss of consciousness AE WEB: http://en.wikipedia.org/wiki/Unconsciousness 意识丧失 10045481 unconsciousness AE OAE:0001998 Miosis AE is an eye AE that is a term with various definitions, which generally include constriction of the pupil. JX, LW, YH myosis AE WEB: http://en.wikipedia.org/wiki/Miosis 瞳孔缩小 10027646 miosis AE OAE:0002000 Albuminuria AE is a urine abnormality AE that is a pathological condition wherein albumin is present in the urine. It is a type of proteinuria. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Albuminuria 蛋白尿 10001580 albuminuria AE OAE:0002003 Contact dermatitis AE is a dermatitis AE that is a type of skin inflammation.It results from exposure to allergens (allergic contact dermatitis) or irritants (irritant contact dermatitis). Phototoxic dermatitis occurs when the allergen or irritant is activated by sunlight. JX, LW, YH WEB: http://en.wikipedia.org/wiki/Contact_dermatitis 接触性皮炎 10010790 contact dermatitis AE OAE:0002042 a sensory capability AE that has an outcome of peripheral coldness, or coldness of extremeties RR WEB: http://www.patient.co.uk/leaflets/peripheral_coldness.htm 10034568 peripheral coldness AE OAE:0002050 a sensory capability AE that has an outcome of hyperaesthesia, meaning unusual or pathological sensitivity of the skin or of a particular sense RR hyperaesthesia AE WEB: http://www.merriam-webster.com/dictionary/hyperesthesia 神经过敏 10020568 hyperesthesia AE OAE:0002073 a thrombocytopenic purpura AE with no known cause (idiopathic). Idiopathic thrombocytopenic purpura is a bleeding disorder in which the immune system destroys platelets, which are necesssary for normal blood clotting. Persons with this disorder have too few platelets in the blood. RR WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000535.htm 特发性血小板减少性紫癜 10021245 idiopathic thrombocytopenic purpura AE OAE:0002095 an abnormal defecation AE that has an outcome of fecal incontinence, the accidental passing of solid or liquid stool or mucus from the rectum RR, MW, YH faecal incontinence AE WEB: http://digestive.niddk.nih.gov/ddiseases/pubs/fecalincontinence/#what 10016092 10016296 fecal incontinence AE CTCAE: E10693 NCIt: C78498 OAE:0002096 a behavior and neurological AE that has an outcome of fear, which is to be afraid and/or worried RR WEB: http://www.merriam-webster.com/dictionary/fear 10016275 fear AE OAE:0002109 a circulatory AE that is a serious allergic reaction associated with systemic vasodilation that causes low blood pressure which is by definition 30% lower than the person's baseline or below standard values. JX, LW, YH, RR WEB: http://en.wikipedia.org/wiki/Anaphylaxis WEB: http://smschile.cl/documentos/cursos2010/MedicalClinicsNorthAmerica/Acute%20Symptoms%20of%20Drug%20Hypersensitivity%20%28Urticaria,%20Angioedema,%20Anaphylaxis,%20Anaphylactic%20Shock%29.pdf WEB: http://www.medicinenet.com/script/main/art.asp?articlekey=10092 过敏性休克 10002199 anaphylactic shock AE OAE:0002112 Epigastric discomfort is a discomfort AE that shows discomfort in the upper central region of the abdomen. JX, LW, YH upper Abdominal discomfort AE WEB: http://www.rightdiagnosis.com/sym/epigastric_discomfort.htm 上腹部不适 10053155 epigastric discomfort AE OAE:0002113 Acute intravascular hemolysis AE is a cardiovascular AE that has an outcome of disruption of red blood cells occurs while they are within blood vessels. JX, LW, YH 急性血管内溶血 acute intravascular hemolysis AE OAE:0002121 Skin redness AE is an erythema AE that is abnormal redness of the skin, often signaling a pathological condition, such as inflammation, infection, or sunburn. JX, LW, YH WEB: http://www.healthline.com/health/skin-redness 皮肤发红 skin redness AE OAE:0002129 Hearing disorder AE is an ear disorder that shows impairment of the sense of hearing. JX, LW, YH 听觉障碍 10019243 hearing disorder AE OAE:0002135 Increased defecation frequency AE is a abnormal stool AE that shows defecation number increased. JX, LW, YH 大便次数增加 increased defecation frequency AE OAE:0002140 Pain over the liver AE is a pain AE that shows pain over the liver. JX, LW, YH 肝区痛 pain over the liver AE OAE:0002184 Numbness of tongue AE is a numbness AE that shows abnormal feeling or loss of sensation in the tongue. JX, LW, YH 舌部麻木 numbness of tongue AE OAE:0002185 Numbness of the limbs AE is a numbness AE that shows reduced or loss of sensation on the skin of the arm and leg. JX, LW, YH 肢体麻木 numbness of the limbs AE OAE:0002206 a sleep disorder AE in which there is an inability to fall asleep or to stay asleep as long as desired. YH, MW WEB: https://en.wikipedia.org/wiki/Insomnia 10022437 Insomnia is a symptom of a sleeping disorder characterized by persistent difficulty falling asleep or staying asleep despite the opportunity. Insomnia is a symptom, not a stand-alone diagnosis or a disease. insomnia AE CTCAE: E12925 HPO: HP_0002360 SIDER: C0917801 OAE:0002214 Bleeding and coagulation disorders AE is a hematopoietic system AE that shows bleeding and coagulation disorders. JX, LW, YH 出凝血功能障碍 bleeding and coagulation disorders AE OAE:0002220 an allergy AE that shows swelling and irritation of the skin, caused by an allergy to a substance in the environment. JX, LW, YH 皮肤过敏 skin allergy AE OAE:0002261 Acousma AE is a sensory capability AE that shows a hallucinatory impression of strange sounds. JX, LW, YH 幻听 acousma AE OAE:0002299 Obviously decreased blood pressure AE is a hypotension AE that shows obviously sustained low blood pressure at a level that is likely to result in cardiovascular disease and/or other pathological states. JX, LW, YH significantly decreased blood pressure AE 血压明显下降 obviously decreased blood pressure AE OAE:0002330 Proarrhythmic effect AE is an arrhythmia AE that is a new or more frequent occurrence of pre-existing arrhythmias, paradoxically precipitated by antiarrhythmic therapy, which means it is a side effect associated with the administration of some existing antiarrhythmic drugs, as well as drugs for other indications. In other words, it is a tendency of antiarrhythmic drugs to facilitate emergence of new arrhythmias. JX, LW, YH arhythmia auxo-action AE WEB: http://en.wikipedia.org/wiki/Proarrhythmia 致心律失常 10036766 proarrhythmic effect AE OAE:0002383 a bone disorder AE that has an outcome of low bone densityl, but not low enough to be considered osteoporosis SJ, YH WEB: http://nof.org/articles/9 10049470 low bone density AE OAE:0002414 A palsy AE that has a symmetric limitation of the movements of both eyes in the same direction. JX, YH WEB: http://one.aao.org/bcscsnippetdetail.aspx?id=f5a77965-de2a-4fb0-82fb-5f4089671ad6 10056696 gaze palsy AE OAE:0002421 Menstrual disorder AE is an abnormal condition in a woman's menstrual cycle. WEB: http://en.wikipedia.org/wiki/Menstrual_disorder 10027327 JX, YH menstrual disorder AE OAE:0002425 a psychiatric disorder AE that is a category of mental health disorders that primarily affect learning, memory, perception, and problem solving, and include amnesia, dementia, and delirium. JX, YH WEB: http://en.wikipedia.org/wiki/Cognitive_disorder 10057668 cognitive disorder AE OAE:0002439 Menstruation irregular AE is a endocrine system AE that is an abnormal variation in length of menstrual cycles in a female. JX, YH, MW irregular menstruation AE WEB: http://en.wikipedia.org/wiki/Irregular_menstruation 10022992 10027339 menstruation irregular AE CTCAE: E13125 NCIt: C35219 OAE:0002440 Generalised tonic-clonic seizure AE is a seizure AE that is a type of generalized seizure that affects the entire brain. Tonic–clonic seizures are the seizure type most commonly associated with epilepsy and seizures in general, though it is a misconception that they are the only type. JX, YH WEB: http://en.wikipedia.org/wiki/Tonic%E2%80%93clonic_seizure 10018100 generalised tonic-clonic seizure AE OAE:0002485 cryptorchidism AE is a male reproductive system AE which results in the absence of one or both testes from the scrotum. YH, SJ undescended testis WEB: http://en.wikipedia.org/wiki/Cryptorchidism 10011498 cryptorchidism AE OAE:0002491 a psychiatric disorder AE that results in a persistent false psychotic belief regarding the self or objects outside the self that is maintained despite indisputable evidence to the contrary. SJ, YH WEB: http://www.merriam-webster.com/dictionary/delusion 10012239 delusion AE OAE:0002552 a seizure AE that shows a brief episode of signs and/or symptoms due to abnormal excessive or synchronous neuronal activity in the brain. JX, YH epilepsy WEB: http://en.wikipedia.org/wiki/Epileptic_seizure 癫痫 epileptic seizure AE OAE:0002612 a cardiovascular investigation result abnormal AE that results in an abnormal result on a test used to evaluate heart function YH WEB: http://www.drsinatra.com/heart-function-tests-to-assess-heart-disease-risk/ WEB: https://en.wikipedia.org/wiki/Cardiology_diagnostic_tests_and_procedures 10058479 cardiac function test abnormal AE UMLS CUI: C0438177 OAE:0002626 an adverse event that shows a result of injury or procedural complication. JX, YH injury and procedural complication AE injury or procedural complication AE OAE:0002632 a male reproductive system AE that has involvement of the testis. MW, YH 10043306 testicular disorder AE CTCAE: E13215 NCIt: C26890 OAE:0002658 a behavior and neurological AE that has an exaggerated feeling of well-being which is disproportionate to events and stimuli. MW, YH 10015533 euphoria AE CTCAE: E12915 NCIt: C34598 OAE:0002665 a male reproductive system AE that has a decrease in the number of spermatozoa in the semen. MW, YH 10030300 oligospermia AE CTCAE: E13141 NCIt: C34860 OAE:0002807 a medical intervention that refers to any series of pre-defined steps that should be followed to achieve a desired result. YH, SS WEB: http://www.wisegeekhealth.com/what-is-the-difference-between-a-surgery-and-a-procedure.htm medical procedure OAE:0003230 YH, JX a behavioral quality where the behavior in an organism is abnormal. WEB: https://en.wikipedia.org/wiki/Abnormality_(behavior) behavior abnormal quality OAE:0003233 a viral infection AE that is caused by a herpes virus. Note that there are 8 herpesvirus types. YH, JX WEB: https://en.wikipedia.org/wiki/Herpesviridae 10019972 herpes viral infection AE OAE:0003243 a cross product of coordination abnormal AE and balance disorder AE YH, QL coordination and balance disturbance AE 10072984 coordination and balance disorder AE OAE:0003244 an anorexia AE that has loss of appetite of greasy food. QL, YH WEB: http://www.anxietycare.org.uk/docs/eating.asp aversion to greasy food AE OAE:0003245 a coordination and balance disorder AE that has difficulty in standing YH, QL dystasia AE WEB: http://medical-dictionary.thefreedictionary.com/dysstasia 10050218 dysstasia AE OAE:0003247 a gastric disorder AE that shows an rupture in the stomach QL, YH stomach rupture WEB: http://medical-dictionary.thefreedictionary.com/gastrorrhexis gastrorrhexis AE OAE:0003248 an injury AE that refers to break or burst suddenly (esp. of a pipe, a vessel, or a bodily part such as an organ or membrane) YH. QL WEB: https://en.wikipedia.org/wiki/Rupture rupture AE OAE:0004214 a gastric disorder AE that shows the body under stress, causing acute erosion, bleeding and ulcers, stomach or duodenal mucosa damage collectively. The main clinical manifestations include upper gastrointestinal bleeding and a small perforation. QL, YH AGML AE WEB: http://medmantic.com/wiki/Acute_Gastric_Mucosal_Lesion 急性胃黏膜损害 10000753 acute gastric mucosal lesion AE OAE:0004215 a bowel sounds abnormal AE that shows an increased amount of bowel sounds. QL, YH WEB: https://www.nlm.nih.gov/medlineplus/ency/article/003137.htm hyperactive bowel sounds AE 肠鸣音亢进 10048720 bowel sounds increased AE UMLS CUI: C0232694 OAE:0004217 a gastrointestinal disorder AE that shows an abnormal amount of bowel sounds. QL, YH WEB: https://www.nlm.nih.gov/medlineplus/ency/article/003137.htm 肠鸣音异常 bowel sounds abnormal AE UMLS CUI: C0159060 OAE:0004220 a hearing disorder AE with an abnormally disproportionate increase in the sensation of loudness in response to auditory stimuli of normal volume QL, YH WEB: https://en.wikipedia.org/wiki/Hyperacusis 听觉过敏 10052526 hyperacusia AE OAE:0004221 a back pain AE that occurs at the low back QL, YH low back pain AE WEB: https://en.wikipedia.org/wiki/Low_back_pain 下背痛 腰痛 lumbago AE OAE:0004231 QL, YH URL http://howshealth.com/kidney-pain-location-causes-symptoms-treatment/#percussion 肾区叩击痛 a pain AE that shows the pain in the kidney area identified by a percussion procedure. kidney area percussion pain AE OAE:0004232 a medical procedure by which a medical professional investigates the body of a patient for signs of disease. QL, YH WEB: http://www.webmd.com/a-to-z-guides/annual-physical-examinations WEB: https://en.wikipedia.org/wiki/Physical_examination 10071941 physical examination OAE:0004233 a physical test by which a surface is tapped to determine the underlying structure, and is used in clinical examinations to assess the condition of the thorax or abdomen. QL, YH percussion test WEB: https://en.wikipedia.org/wiki/Percussion_(medicine) 10051720 percussion procedure OAE:0004234 a urine analysis result abnomal AE that shows cylindrical structures produced by the kidney and present in the urine. QL, YH urinary casts present AE WEB: http://medical-dictionary.thefreedictionary.com/cylindruria 管型尿 10011730 10067534 cylindruria AE OAE:0004239 an eye disorder AE that causes visual disturbance and interfere with normal sight. JX, YH WEB: http://www.healthline.com/symptom/visual-disturbance 10047543 visual disturbance AE OAE:0004244 an edema AE that has an outcome of swelling in the eye. JX, YH 10052139 eye edema AE OAE:0004262 an abnormal stool AE that shows pale or clay-colored stool. JX, YH faeces pale AE WEB: http://www.healthline.com/symptom/pale-stools 大便苍白 10016102 feces pale AE OAE:0004280 a menstrual disorder AE that shows an extremely light menstrual blood flow QL, YH hypomenorrhoea AE WEB: https://en.wikipedia.org/wiki/Hypomenorrhea 月经减少 10021032 hypomenorrhea AE OAE:0004282 a male reproductive system AE in which spermatozoa in seminal fluid are dead or motionless QL, YH WEB: https://en.wikipedia.org/wiki/Necrospermia 死精 10074729 necrospermia AE MP: MP_0009325 OAE:0004283 a reproductive system AE that results in diminished ability to produce live offspring JX, LW, YH WEB: https://en.wikipedia.org/wiki/Infertility 生育能力下降 10042391 subfertility AE MP: MP_0001921 OAE:0004284 a reproductive system AE that results in an inability to conceive for at least one year after trying and having unprotected sex. QL, YH WEB: http://www.mayoclinic.org/diseases-conditions/infertility/basics/definition/con-20034770 不孕不育 10021926 infertility AE MP: MP_0001921 OAE:0004285 an endocrine investigation result abnormal AE that is characterized by a lower than normal level of estrogen, the primary sex hormone in women QL, YH estrogen deficiency AE hypoestrogenism AE WEB: http://www.md-health.com/Low-Estrogen.html WEB: https://en.wikipedia.org/wiki/Hypoestrogenism 性激素水平下降 10015519 low estrogen level AE OAE:0004286 a hemorrhage AE that occurs at the uterus, but it is not related to menstruation. The irregular and unpredictable bleeding usually comes from a dysfunctional endometrium. QL, YH WEB: http://emedicine.medscape.com/article/257007-overview 功能性子宫出血 10013908 dysfunctional uterine bleeding AE MESH: D008796 OAE:0004287 a testicular disorder AE that has a loss of testicular volume QL, YH WEB: https://en.wikipedia.org/wiki/Testicular_atrophy 睾丸萎缩 10043298 testicular atrophy AE OAE:0004288 an aplastic anemia AE that results in the suppression of erythropoiesis with little or no abnormality of leukocyte or platelet production. QL, YH PRCA AE red-cell aplasia, pure WEB: http://emedicine.medscape.com/article/205695-overview 纯红再障性贫血 pure red cell aplasia AE MESH: D012010 OAE:0004290 a cutaneous vasculitis AE that results in inflammation of small blood vessels, characterized clinically by palpable purpura, which is a slightly elevated purpuric rash over one or more areas of the kin. QL, YH WEB: https://www.nlm.nih.gov/medlineplus/ency/article/000874.htm 皮肤变应性血管炎 allergic cutaneous vasculitis AE DO: DOID_11450 OAE:0004291 a skin hyperpigmentation AE that shows the occurrence of pigmented patches on the tongue and buccal mucousmembranes. QL, YH WEB: http://www.medilexicon.com/medicaldictionary.php?t=53725 皮肤黑斑病 melanoplakia AE SNOMEDCT: 84647002 OAE:0004292 an erythema AE that showns an erythematous eruption characterized by inflammatory nodules that are usually tender, multiple, and bilateral. Such a symptom is commonly associated with drug reactions or infection. QL, YH erythemanodosum AE WEB: https://en.wikipedia.org/wiki/Erythema_nodosum 结节性红斑 10015226 erythema nodosum AE HPO: HP_0012219 MeSH: D004893 OAE:0004293 a muscle spasm AE that occurs when the contraction of a spasm is sustained or continuing. Such a spasm is generally severe because is is often caused by diseases that affect the central nervous system or brain, such as tetanus, rabies, and cerebral palsy. QL, YH WEB: http://medical-dictionary.thefreedictionary.com/tonic+spasm 强直性痉挛 tonic spasm AE OAE:0004298 a female reproductive system AE that occurs at the ovaries where ovaries do not produce estrogen despite high levels of circulating gonadotropins in women under 40. QL, YH primary ovarian insufficiency AE WEB: http://www.mayoclinic.org/diseases-conditions/premature-ovarian-failure/basics/definition/con-20028351 WEB: https://www.nlm.nih.gov/medlineplus/prematureovarianfailure.html 卵巢早衰 premature ovarian failure AE DO: DOID_5426 OAE:0004299 a skin adverse event that has an outcome of a discontinuity of the skin exhibiting incomplete loss of the epidermis, a lesion that is moist, circumscribed, and usually depressed. QL, YH 10040840 skin erosion AE HP: HP_0200041 OAE:0004300 a hematopoietic system AE that has an outcome of an arrest of the formation of blood cellular components. QL, YH WEB: https://en.wikipedia.org/wiki/Haematopoiesis 造血功能障碍 arrest of hematopoiesis AE OAE:0004301 an arrest of hematopoiesis AE that occurs quickly QL, YH WEB: https://en.wikipedia.org/wiki/Haematopoiesis 急性造血功能障碍 acute arrest of hematopoiesis AE OAE:0004344 A paralysis AE accompanied by involuntary tremors. KY, YH WEB: https://en.oxforddictionaries.com/definition/palsy WEB: https://en.wikipedia.org/wiki/Palsy 麻痹 palsy AE OAE:0004348 A hyperaesthesia AE that occurs at the optic area, reflected by an abnormal sensitivity to light. YH, Jiahao Wang WEB: http://medical-dictionary.thefreedictionary.com/optic+hyperesthesia 光过敏 optic hyperesthesia AE OAE:0004349 An abnormal respiration AE that shows a severely deficient supply of oxygen to the body that arises from abnormal breathing. YH, Jiahao Wang asphyxiation AE WEB: https://en.wikipedia.org/wiki/Asphyxia 窒息 10003497 10003502 asphyxia AE OAE:0004350 An muscle AE showing delayed relaxation (prolonged contraction) of the skeletal muscles after voluntary contraction or electrical stimulation YH, Jiahao Wang WEB: https://en.wikipedia.org/wiki/Myotonia 肌强直 10061533 myotonia AE OAE:0004351 An myotonia AE that occurs in the neck. YH, Jiahao Wang WEB: https://en.wikipedia.org/wiki/Myotonia 颈项强直 neck myotonia AE OBI:0000011 planned process Injecting mice with a vaccine in order to test its efficacy A processual entity that realizes a plan which is the concretization of a plan specification. 'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.) We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some objectives is a planned process. Bjoern Peters branch derived 6/11/9: Edited at workshop. Used to include: is initiated by an agent This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call) http://purl.obolibrary.org/obo/obi.owl planned process OBI:0000576 scattered molecular aggregate the sodium and chloride ions in a glass of salt water A scattered molecular aggregate is a material entity that consists of all the molecules of a specific type that are located in some bounded region and which is part of a more massive material entity that has parts that are other such aggregates PERSON: Alan Ruttenberg Collective Discussion in Karslruhe with, among others, Alan Rector, Stefan Schulz, Marijke Keet, Melanie Courtot, and Alan Ruttenberg. With inspiration from the paper Granularity, scale and collectivity: When size does and does not matter, Alan Recto, Jeremy Rogers, Thomas Bittner, Journal of Biomedical Informatics 39 (2006) 333-349 scattered molecular aggregate OBI:0100026 organism animal fungus plant virus A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs. 10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms') 13-02-2009: OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. This issue is outside the scope of OBI. GROUP: OBI Biomaterial Branch WEB: http://en.wikipedia.org/wiki/Organism http://purl.obolibrary.org/obo/obi.owl organism OGMS:0000060 Albert Goldfain creation date: 2009-06-23T11:53:49Z bodily process OGMS:0000061 A bodily process that is clinically abnormal. Albert Goldfain http://ontology.buffalo.edu/medo/Disease_and_Diagnosis.pdf creation date: 2009-06-23T11:54:29Z pathological bodily process OGMS:0000090 A processual entity whose completion is hypothesized (by a healthcare provider) to alleviate the signs and symptoms associated with a disorder Albert Goldfain http://code.google.com/p/ogms/issues/detail?id=35 creation date: 2010-03-31T04:51:11Z http://purl.obolibrary.org/obo/ogms.owl treatment An organismal quality inhering in a bearer by virtue of the bearer's behavior aggregate of the responses or reactions or movements in a given situation. PATO:0001722 behavioural quality quality PATO:0000186 behavioral quality PATO:0000186 A quality of a physical entity that exists through action of continuants at the physical level of organisation in relation to other entities. PATO:0002079 Wikipedia:Physical_property relational physical quality quality PATO:0001018 physical quality PATO:0001018 A quality which inheres in an process. PATO:0001239 PATO:0001240 quality of a process quality of occurrent quality of process relational quality of occurrent quality PATO:0001236 See comments of relational quality of a physical entity. process quality PATO:0001236 A quality which inheres in a continuant. PATO:0001237 PATO:0001238 snap:Quality monadic quality of a continuant multiply inhering quality of a physical entity quality of a continuant quality of a single physical entity quality of an object quality of continuant monadic quality of an object monadic quality of continuant quality PATO:0001241 Relational qualities are qualities that hold between multiple entities. Normal (monadic) qualities such as the shape of a eyeball exist purely as a quality of that eyeball. A relational quality such as sensitivity to light is a quality of that eyeball (and connecting nervous system) as it relates to incoming light waves/particles. physical object quality PATO:0001241 A quality that inheres in an entire organism or part of an organism. quality PATO:0001995 organismal quality PATO:0001995 PO:0004518 A portion of plant tissue (PO:0009007) outside the vascular cambium (PO:0005598) or the xylem (PO:0005352); in older trees may be divided into dead outer bark and living inner bark, which consists of secondary phloem (PO:0005043). corteza (Spanish, exact) portion of bark tissue (exact) 樹皮 (Japanese, exact) plant_anatomy PO:0004518 bark PO:0006036 A portion of epidermis (PO:0005679) that is part of a root (PO:0009005). PO:0006037 PO_GIT:111 epidermis de la ra&#237z (Spanish, exact) 根表皮 (Japanese, exact) plant_anatomy epiblem (related) rhizodermis (related) PO:0006036 The root epidermis is different from the shoot epidermis in its origin, function and structure. root epidermis PO:0009001 A multi-tissue plant structure (PO:0025496) that develops from a gynoecium (PO:0009062), or a single carpel (PO:0009030), and at maturity may have as parts one or more seeds (PO:0009010). PO:0020067 PO:0020068 PO:0020069 PO:0020070 PO:0020071 PO:0020072 PO:0020073 PO:0020074 PO:0020076 PO:0020077 PO:0020078 PO:0020079 PO:0020080 PO:0020082 PO:0020083 PO:0020087 PO:0020107 aggregate fruit (broad) compound fruit (broad) dehiscent fruit (broad) diaspore (broad) indehiscent fruit (broad) multiple fruit (broad) propagule (broad) PO_GIT:76 frucht (exact, German) fruto (exact, Spanish) 果実 (exact, Japanese) coenocarp (narrow) syncarp (narrow) plant_anatomy PO:0009001 A fruit (PO:0009001) may contain additional plant structures (PO:0009011) that were part of a flower (PO:0009046) and mature along with the gynoecium, such as a receptacle (PO:0009064). A fruit may develop without fertilization in cases of parthenocarpy, apomixis, or other hormone-induced conditions and may not always contain seeds (PO:0009010). When annotating to fruit (PO:0009001) that are referred to as ‘aggregate’, ‘multiple’, or ‘compound’, please annotate directly to the appropriate plant structure, such as receptacle, hypanthium (PO:0009065) or infructescence (PO:0006342). Fruits only occur in angiosperms. fruit PO:0009005 A plant axis (PO:0025004) that lacks shoot axis nodes (PO:0005004) and usually grows indeterminately. PO:0003006 PO_GIT:578 ra&#237z (Spanish, exact) radices (exact, plural) radix (exact) 根 (Japanese, exact) aerial root (narrow) climbing root (narrow) plant_anatomy PO:0009005 Roots function in the absorption of water and inorganic nutrients, anchoring the plant body to the substrate and supporting it, storage of food and nutrients, and vegetative reproduction. The roots of most vascular plant species enter into symbiosis with soil-borne microorganisms. Roots are usually positively geotropic and found underground, although there are many exceptions such as the aerial roots of orchids. Roots often form secondary thickening from the root lateral meristem (PO:0006308). Commonly thought of as one of the three basic parts of the plant body, along with the shoot axis (PO:0025029) and leaves (PO:0025034). root PO:0009006 A collective plant organ structure (PO:0025007) that produces shoot-borne portions of meristem tissue (PO:0009013) and the plant structures (PO:0009011) that arise from them. PO_GIT:135 sistema de epiblasto (epiblastema) (Spanish, exact) シュート系、苗条系 (Japanese, exact) tree crown (narrow) plant_anatomy Poaceae crown (related) shoot (related) thalli (related) thallus (related) PO:0009006 The shoot system is generally used to refer to the above-ground plant parts, although some plants have parts of their shoot system underground. For example, a rhizome (PO:0004542), bulb (PO:0025356), a corm (PO:0025355) or a subterranean tuber (PO:0004547), as in Solanum tuberosum (potato) or yam, are all part of the shoot system. shoot system PO:0009007 A plant structure (PO:0009011) that consists predominantly of similarly specialized plant cells (PO:0009002) of one or more types. portion of tissue (broad) tissue (broad) PO_GIT:59 porci&#243n de un tejido vegetal (Spanish, exact) 植物組織の一部 (Japanese, exact) plant_anatomy plant tissue (related) PO:0009007 A portion of plant tissue may contain one or several types of cells that are organized in a specific spatial arrangement into a structural unit (which includes a mass of callus) and may include an intercellular matrix. May include other types of isolated cells, such as idioblasts. portion of plant tissue PO:0009008 A multi-tissue plant structure (PO:0025496) that is a functional unit, is a proper part of a whole plant (PO:0000003), and includes portions of plant tissue (PO:0009007) of at least two different types that derive from a common developmental path. organ (broad) PO_GIT:55 &#243rgano vegetal (Spanish, exact) 植物 器官 (Japanese, exact) plant_anatomy compound plant organ (related) simple plant organ (related) PO:0009008 Examples include stem (PO:0009047), leaf (PO:0025034), and root (PO:0009005). May include individual plant cells (PO:0009002) that are not part of a portion of plant tissue (e.g., idioblasts, PO:0000283). A plant organ may have one or more different plant organs as parts, such as a sporophyll (PO:0009026) that may have as part a sporangium (PO:0025094) or a carpel (PO:0009030) that may have as part a plant ovule (PO:0020003). plant organ PO:0009010 A multi-tissue plant structure (PO:0025496) that develops from a plant ovule (PO:0020003) and has as parts a plant embryo (PO:0009009) enclosed in a seed coat (PO:0009088). diaspore (broad) PO_GIT:405 semilla (Spanish, exact) 種子 (Japanese, exact) pyrene (narrow) plant_anatomy PO:0009010 A seed generally develops from an ovule (PO:0020003) after fertilization, but may develop without fertilization in the case of apogamy (e.g., adventitious embryos or somatic embryos). A seed is a reproductive unit of seed plants (gymnosperms, angiosperms, and fossil pteridosperms). seed PO:0009011 An anatomical structure that is or was part of a plant, or was derived from a part of a plant. PO_GIT:57 estructura vegetal (Spanish, exact) 植物 構造 (Japanese, exact) plant_anatomy PO:0009011 'Part' includes both proper parts and the whole plant. CARO:0000003 anatomical structure is defined as: Material anatomical entity that has inherent 3D shape and is generated by coordinated expression of the organism's own genome. plant structure PO:0009047 A shoot axis (PO:0025029) that is the primary axis of a plant. PO_GIT:52 PO_GIT:96 ca&#241a (Spanish, exact) culm (exact) eje primario (Spanish, exact) primary axis (exact) primary stem (exact) tallo (Spanish, exact) tronco (Spanish, exact) 茎 (Japanese, exact) bole (narrow) cane (narrow) caudex (narrow) caudices (narrow) core (narrow) primocane (narrow) scape (narrow) stalk (narrow) trunk (narrow) plant_anatomy PO:0009047 A stem often bears leaves and buds. It is usually above ground, and is more or less negatively geotropic. stem PO:0025004 An axial plant organ (PO:0009008). rwalls 2010-07-01T03:44:41Z eje de la planta (Spanish, exact) plant axes (exact, plural) 植物軸（軸柱） (Japanese, exact) plant_anatomy PO:0025004 Includes roots and shoots. plant axis PO:0025029 A plant axis (PO:0025004) that is part of a shoot system (PO:0009006). rwalls 2010-07-01T03:46:35Z caullome (exact) eje del epiblasto (epiblastema) (Spanish, exact) シュート軸 (Japanese, exact) plant_anatomy shoot (related) PO:0025029 Often bears leaves and branches. In vascular plants, has at least one node and one internode. shoot axis PO:0025034 A phyllome (PO:0006001) that is not associated with a reproductive structure. rwalls 2010-07-12T01:31:44Z PO_GIT:274 PO_GIT:301 hoja (Spanish, exact) 葉 (Japanese, exact) plant_anatomy PO:0025034 leaf PO:0025073 A shoot axis (PO:00025029) that develops from an axillary bud meristem (PO:0000232) or from equal divisions of a meristematic apical cell (PO:0030007). rwalls 2010-07-01T04:21:46Z PO_GIT:134 ramificaci&#243n (Spanish, exact) shoot axis branch (exact) 枝 (Japanese, exact) branchlet (narrow) higher order axis (narrow) secondary axis (narrow) tertiary axis (narrow) twig (narrow) plant_anatomy PO:0025073 In vascular plants, branches arise from an axillary bud meristem (PO:0000232) and from divisions of the meristematic apical cell (PO:0030007) in non-vascular plants. branch PO:0025131 An anatomical entity that is or was part of a plant. rwalls 2010-11-15T11:41:38Z PO_GIT:224 entidad anat&#243mica vegetal (Spanish, exact) 植物 解剖学（形態）的実体 (Japanese, exact) plant_anatomy PO:0025131 Includes both material entities such as plant structures and immaterial entities such as plant anatomical spaces. CARO:0000000 anatomical entity is defined as: Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species. plant anatomical entity PO:0025496 A plant structure (PO:0009011) that has as parts two or more portions of plant tissue (PO:0009007) of at least two different types and which through specific morphogenetic processes forms a single structural unit demarcated by primarily bona-fide boundaries from other structural units of different types. Laurel_Cooper 2012-06-11T14:57:00Z PO_GIT:480 estructura vegetal con m&#250ltiples tejidos (Spanish, exact) 複数の組織からなる植物構造 (Japanese, exact) plant_anatomy PO:0025496 Most multi-tissue plant structures have at least a small connection to other plant structures via a fiat boundary, such as where a leaf (PO:0025034) connects to a shoot axis (PO:0025029), a petal (PO:0009032) connects to a receptacle (PO:0009064), or a branch (PO:0025073) connects to a stem (PO:0009047). multi-tissue plant structure TCMDPO:0000001 Decoction Pieces TCM decoction pieces With crude medicine as raw materials, according to Chinese medicine theory, after processing, it can be directly used in traditional Chinese medicine clinical or pharmaceutical production and use of prescription drugs. 以中药材为原材料，按中医药理论，经过加工炮制后，可直接用于中医临床或制剂生产使用的处方药品。 中华人民共和国国家质量监督检验检疫总局中国国家标准化管理委员会.GB/T 31774-2015 中华人民共和国国家标准，中药编码规则及编码[S].2015. traditional Chinese medicine decoction pieces 中药饮片 TCMDPO:0000007 Dispelling Pathogenic Wind and Dampeness Drugs TCM dispelling pathogenic wind and dampeness drug 祛风湿药 TCMDPO:0000010 Warming Interior Drug TCM warming interior drug 温里药 TCMDPO:0000015 Promoting Blood Circulation and Removing Blood Stasis Drugs TCM promoting blood circulation and removing blood stasis drug 活血化瘀药 TCMDPO:0000020 Supplementing and Boosting Drugs TCM supplementing and boosting drug 补虚药 TCMDPO:0000034 Wind-damp Dispelling and Cold-dispersing Drugs TCM wind-damp dispelling and cold-dispersing drug 祛风湿散寒药 TCMDPO:0000035 Winddamp-dispelling and Heat-clearing Drugs TCM winddamp-dispelling and heat-clearing drug 祛风湿清热药 TCMDPO:0000036 Winddamp-dispelling and Tendon-bone-strengthening Drugs TCM winddamp-dispelling and tendon-bone-strengthening drug 祛风湿强筋骨药 TCMDPO:0000046 Blood-activating and Trauma-curing Drugs TCM blood-activating and trauma-curing drug 活血疗伤药 TCMDPO:0000057 Blood-supplementing Drugs TCM blood-supplementing drug 补血药 TCMDPO:0000062 药物对于机体某部分的选择性作用。 钟赣生主编.中药学[M].北京：中国中医药出版社，2012. Channel Tropism 药物作用部位 TCMDPO:0000063 Four Natures (TCD) 寒热温凉四种不同的药性。 钟赣生主编.中药学[M].北京：中国中医药出版社，2012. TCD nature 四气（中药） TCMDPO:0000064 Five Flavours (TCD) 药物所具有的酸、苦、甘、辛、咸不同的药味。 钟赣生主编.中药学[M].北京：中国中医药出版社，2012. TCD flavour 中药五味 TCMDPO:0000065 药物对机体的损害性。 侯士良主编.中药八百种详解[M].郑州：河南科学技术出版社.2009. Toxicity of Chinese Medicine 毒性 TCMDPO:0000066 Liver Meridian 肝经 TCMDPO:0000067 Cold (TCD) 寒（中药） TCMDPO:0000068 Hot (TCD) 热（中药） TCMDPO:0000069 Gallbladder Meridian 胆经 TCMDPO:0000070 Sour (TCD) 酸（中药） TCMDPO:0000071 Warm (TCM) 温（中药） TCMDPO:0000072 Cool (TCD) 凉（中药） TCMDPO:0000075 Mild(TCM) 平（中药） TCMDPO:0000076 bitter (TCD) 苦（中药） TCMDPO:0000077 Sweet (TCD) 甘（中药） TCMDPO:0000078 Pungent (TCD) 辛（中药） TCMDPO:0000079 Salty (TCD) 咸（中药） TCMDPO:0000080 Strong Toxicity 大毒 TCMDPO:0000081 Slightly Toxicity 有毒 TCMDPO:0000085 Spleen Meridian 脾经 TCMDPO:0000086 Stomach Meridian 胃经 TCMDPO:0000087 Heart Meridian 心经 TCMDPO:0000089 Kidney Meridian 肾经 TCMDPO:0000090 Bladder Meridian 膀胱经 TCMDPO:0000152 Black-tail Snake Zaocys 乌梢蛇 郑艳青王艳敏.乌梢蛇的化学成分及分析方法研究进展.中国药业,2006,15(21):59-60 Black-tail Snake TCD TCMDPO:0000155 Paniculate Swallowwort Root 付明,王登宇,胡兴.徐长卿化学成分研究.中药材,2015,38(1):97-100 Cynanchi Paniculati Radix et Rhizoma Paniculate Swallowwort Root TCD 徐长卿 TCMDPO:0000156 Chinese Clematis Root Clematidis Radix et Rhizoma 威灵仙 罗奎元,强宇靖,高慧琴.威灵仙化学成分及药理作用研究进展.甘肃中医学院学报,2015,32(5):60-63 Chinese Clematis Root TCD TCMDPO:0000157 Angelicae Pubescentis Radix Doubleteeth Pubescent Angelica Root 独活 陈宇.独活化学成分研究进展,辽宁中医药大学学报,2014,16(5):255-256 Doubleteeth Pubescent Angelica Root TCD TCMDPO:0000158 Erythrinae Cortex Oriental Variegated Coralbean Bark 海桐皮 Oriental Variegated Coralbean Bark TCD TCMDPO:0000159 Clerodendri Trichotomi Ramulus et Folium Harlequin Glorybower Leaf 臭梧桐 徐瑞兰,师彦平.中药臭梧桐的化学成分研究.南昌工程学院学报,2015,34(4):15-19 Harlequin Glorybower Leaf TCD TCMDPO:0000160 Siegesbeckia Herb Siegesbeckiae Herba 豨莶草 Siegesbeckia Herb TCD TCMDPO:0000161 Mori Ramulus Mulberry Twig 桑枝 邢冬杰,项东宇,张彩坤.桑枝活性成分提取及药理作用研究进展.中国现代中药,2014,16(11):957-960 Mulberry Twig TCD TCMDPO:0000163 Gentianae Macrophyllae Radix Largeleaf Gentian Root 秦艽 穆祯强，于洋，高昊，等.龙胆属秦艽组植物的化学成分和药理作用研究进展[J]．中国中药杂志，2009，34(16)：2012-2017; 郑姜彬.麻花秦艽的化学成分研究[D]．陕西：西北大学，2010：6-29 Largeleaf Gentian Root TCD TCMDPO:0000165 Homalomenae Rhizoma Obscured Homalomena Rhizome 千年健 谢丽莎,龚志强,李娉.千年健研究进展.上海中医药杂志,2011,45(11):90-92 Obscured Homalomena Rhizome TCD TCMDPO:0000167 Chinese Taxillus Herb Talxilli Herba 桑寄生 朱晓薇.桑寄生科植物的化学成分与抗肿瘤作用.国外医药·植物药分册,2001,16(4):142-145 Chinese Taxillus Herb TCD TCMDPO:0000168 Acanthopanacis Cortex Acanthopanax Root Bark 五加皮 郑婧,张贵君,韦敏.五加皮药材基原、化学成分及药理作用研究进展.辽宁中医药大学学报,2015,17(8):104-107 Acanthopanax Root Bark TCD TCMDPO:0000192 Aconiti Lateralis Radix Praeparaka Prepared Common Monkshood Branched Root 附子 吴克红，唐力英.附子的化学和生物活性研究进展,中国实验方剂学杂志,2004,20(2):212-220 唐春雪,宋苹.附子临床应用安全性文献系统评价[J]新中医,2008,40(4):95-101 朱林平.附子毒性研究概况[J]Jiangxi journal of traditional Chinese medicine,2004,35(6):53-55 骆梅娟,周至安.附子的毒性及临床应用浅析[J]Journal of Guangzhou University of Traditional Chinese Medicine,2009,26(5):512-514 Prepared Common Monkshood Branched Root TCD TCMDPO:0000229 Nux Vomica Strychni Semen 马钱子 解宝仙,唐文照,王晓静.马钱子的化学成分和药理作用研究进展.药学研究,2014,33(4):603-606 Nux Vomica TCD TCMDPO:0000288 Debark Peony Root Paeoniae Radix Alba 白芍 CHEN Ji-hong， LAO Zhi-ying，et al.Effects of two different doses of total glucosides of paeony with rheumatoid arthritis in 150 patients[J]Chin J New Drugs Clin Rem.2011,30(10):771-774 唐宗忠，陈燕等.白芍总苷胶囊致疱疹一例[J].中药新药与临床药理， 李岩.白芍及其化学成分的药理研究进展.职业与健康,2015,31(15):2153-2156 白芍总苷治疗强直性脊柱炎的疗效及其机制探讨[J].中药药理与临床，2009,25(3):68-70 翟乾勋.白芍总苷致男性乳腺增生一例[J].山西医药杂志，2005，34（8） 胡永顺，张宝霞.白芍总苷对寻常型银屑病的治疗作用观察[J].中医药临床杂志,2013,25(2):148-150 Debark Peony Root TCD TCMDPO:0000324 slightly bitter(TCD) 微苦（中药） TCMDPO:0000325 Slightly Warm(TCD) 微温（中药） TCMDPO:0000326 Extremely Hot(TCD) 大热 TCMDPO:0000328 Common Threewingnut Root Tripterygii Radix et Rhizoma 雷公藤 Gao yuping ,Chen defu. 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Efficacy of Tripterygium hypoglaucum Hutch in adults with chronic urticaria. Journal of alternative and complementary medicine 17, 459-464 (2011) 姚逸,杨清林.昆明山海棠的研究概况[J]时珍国医国药,2001,12(2):1129-1131 徐棠本. 服昆明山海棠片出现过敏反应1 例[ J] . 中国中药杂志,1996, 21( 12): 755. 李顺英,张超等.昆明山海棠的临床应用[J]中国民族民间医药杂志,2006,(83):325-330 王金平,李红星等.火把花根的化学成分和临床应用及不良反应综述[J]重庆中草药研究,2011,(63):41-44 舒尚义. 口服昆明山海棠引起经闭42 例临床观察[J].昆明医学院学报,1980,(3):38-42. 谢晨琼，周 萍昆明山海棠化学成分及药理作用和临床应用研究进展 赵　慧.火把花根片过敏反应1例[ J ]. 山东中医杂志, 2000, 19( 5):294 Tripterygii Hypoglauci Radix TCD TCMDPO:0000330 Silk-worm Droppings 崔锡强,王洪庆.蚕沙的化学成分研究,中草药,2007,38(4):501-502 Faeces Bombycis Silk-worm Droppings TCD 蚕沙 TCMDPO:0000331 Fourstamen Stephania Root Stephaniae Tetrandrae Radix 粉防己 张晓红.粉防己与广防己的鉴别及临床应用研究.中医当代医药,2015,22(24):111-113 为防己科多年生木质藤本植物粉防己或马兜铃科多年生缠绕草本植物广防己的根，具有祛风湿、止痛、利水的功效，临床用于治疗风湿痹痛、水肿、腹水、脚气浮肿。 Fourstamen Stephania Root TCD TCMDPO:0000332 Kadsura Pepper Stem Piperis Kadsurae Caulis 海风藤 宋敬丽, 袁林.海风藤化学成分和药理作用的研究进展.湖北中医学院学报,2007,9(3):70-72 Kadsura Pepper Stem TCD TCMDPO:0000333 Os Panthera Tigris Tiger Bone 虎骨 李超英,张大方,刘力.虎骨的本草学与现代研究,长春中医学院学报,1994,10(5):81-82 为猫科动物虎的骨胳，具有追风定痛、健骨镇惊的功效，临床用于治疗历节风痛、四肢拘挛、腰脚不随、惊悸癫痫、痔瘘脱肛等。 Tiger Bone TCD TCMDPO:0000334 Trachlospermi Caulis et Folium 络石藤 西部三省,韩英梅.络石藤化成分及其抗癌活性.国外医药植物药分册,2002,17(2):57-58 谭兴起,郭良君,陈海生.络石藤中黄酮类化学成分研究,中药材,2010,33(1):58-60 Chinese Starjasmine Stem TCD TCMDPO:0000335 Slightly Cold（TCD） 微寒（中药） TCMDPO:0000336 Chaenomelis Fructus Common Floweringqince Fruit 木瓜 何义富,魏伟,金娟,常艳,张玲玲,唐丽琴,陈尹.木瓜苷和儿茶素抗类风湿关节炎作用研究进展.[A];中医药理论与应用研究——安徽中医药继承与创新博士科技论坛论文集.[C];2008年 林萍,易宏伟,张斐.金丝桃苷药理作用研究进展[J]中国现代中药.2012(14).23-26 Common Floweringqince Fruit TCD TCMDPO:0000337 Chinese Pine Nodular Branch Lignum Pini Nodi 松节 高 阳,孙凡森,苏娅萍.华山松松节的化学成分及黄嘌呤氧化酶抑制活性研究.西北药学杂志,2013,28(6):559-562 Chinese Pine Nodular Branch TCD TCMDPO:0000338 Wooly Datchmanspipe Herb 陈艳美,王利娜,崔超.寻骨风药学研究概况.安徽农业科学,2013,41(10):4322-4323 Aristolochiae Mollissimae Herba Wooly Datchmanspipe Herb TCD 寻骨风 TCMDPO:0000339 Ge hongxing, Li qing, et al. 正清风痛宁的不良反应与合理用药建议[J] Chinese Traditional Patent Medicine.2010,32(2):287-289 Hu Yonghong, Lai Xianyang. 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Nervous structures including ganglia outside of the central nervous system. Kimmel et al, 1995.[TAO] Part of nervous system in which nerves extend throughout the body outside of the brain and spinal cord.[AAO] The peripheral nervous system (PNS) is the part of the nervous system connected to the CNS which contains cranial nerves III - XII, spinal, peripheral and autonomic nerves. (CUMBO) (...) specific vertebrate traits within the chordate phylum such as skeletal tissues, PNS, and spectacular head and brain development, are linked to the NC (neural crest) and its derivatives.[well established][VHOG] AAO:0000429 BAMS:PNS BILA:0000081 BTO:0001028 CALOHA:TS-0808 EFO:0000891 EHDAA2:0001445 EHDAA:2893 EMAPA:16665 EV:0100335 FBbt:00005098 FMA:9903 GAID:715 MA:0000218 MAT:0000338 MESH:D017933 MIAA:0000338 TAO:0000142 UMLS:C0206417 UMLS:C1305921 VHOG:0000399 XAO:0000178 ZFA:0000142 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=247 pars peripherica systema nervosum periphericum uberon PNS lateral part of the basal amygdalar nucleus lateral part of the basolateral nucleus nucleus amygdalae basalis, pars lateralis nucleus amygdaloideus basalis, pars lateralis magnocellularis nucleus basalis lateralis amygdalae pars peripherica; systema nervosum periphericum UBERON:0000010 peripheral nervous system UBERON:0000010 Any portion of the organ that covers that body and consists of a layer of epidermis and a layer of dermis. Note the distinction between the entire skin of the body, of which there is only 1 in an organism, and zones of skin, of which there can be many. Examples: skin of knee (...) it is well-established that neural crest cells contribute to both the dermal skeleton (craniofacial bone, teeth, and the caudal fin rays of teleosts) and the integument, including craniofacial dermis and all pigment cells outside the retina (...).[well established][VHOG] we assume that mouse, HOG and GAID all mean zone of skin when they say skin. We also choose skin as an exact synonym, as it is more intuitive EHDAA2:0001844 EHDAA:6530 EMAPA:17525 EV:0100152 FMA:86166 GAID:933 MA:0000151 MAT:0000284 MESH:D012867 MIAA:0000284 OpenCyc:Mx4rvVjX3ZwpEbGdrcN5Y29ycA VHOG:0000860 portion of skin region of skin skin skin region skin zone uberon UBERON:0000014 zone of skin UBERON:0000014 A non-material anatomical entity of two dimensions. Anatomical boundaries are contiguous structures. AEO:0000192 CARO:0000010 FMA:50705 uberon UBERON:0000015 Except in the case of abstracted fiat boundaries such as the midline plane of an organism, all 2D anatomical entities have a 3 dimensional projection. For example, the surface of the shell of a muscle has a distinct shape that projects into the third dimension. Note that boundaries are 2D structures. They have no thickness - and so can not be sites of gene expression or gene product localisation. For this, use boundary region terms. anatomical boundary UBERON:0000015 The part of the pancreas that is part of the endocrine system and is made up of islet cells, which produce insulin, glucagon and somatostatin. create a separate class for distributed pancreas, eg cyclostomes? The part of the pancreas that acts as an endocrine gland, consisting of the islets of Langerhans, which secrete insulin and other hormones. [TFD][VHOG] The zebrafish endocrine pancreas is composed of small groups of islet cells that are distributed throughout the exocrine pancreas. The islet cells produce insulin, glucagon and somatostatin.[TAO] In the hagfish and lampreys (our most primitive vertebrate species of today), the first sign of 'a new organ' is found as collections of endocrine cells around the area of the bile duct connection with the duodenum. These endocrine organs are composed of 99% beta cells and 1% somatostatin-producing delta cells. Compared to the more primitive protochordates (e.g. amphioxus), this represents a stage where all previously scattered insulin-producing cells of the intestinal tissue have now quantitatively migrated to found a new organ involved in sensing blood glucose rather than gut glucose. Only later in evolution, the beta cells are joined by exocrine tissue and alpha cells (exemplified by the rat-, rabbit- and elephant-fishes). Finally, from sharks and onwards in evolution, we have the islet PP-cell entering to complete the pancreas.[well established][VHOG] endocrine and exocrine pancreas are not co-associated in hagfishes or lampreys BTO:0000650 CALOHA:TS-1302 EFO:0002542 EMAPA:35305 EV:0100129 FMA:16018 MA:0001582 TAO:0001260 VHOG:0000049 ZFA:0001260 endocrine pancreas pars endocrina pancreatis uberon endocrine part of pancreas islets of Langerhans part of pancreas UBERON:0000016 endocrine pancreas UBERON:0000016 The part of the pancreas that is part of the exocrine system and which produces and store zymogens of digestive enzymes, such as chymotrypsinogen and trypsinogen in the acinar cells [GO]. The exocrine pancreas is composed of acinar epithelial cells and ductal epithelium that manufacture the proteolytic enzymes and bicarbonate required for digestion.[TAO] The part of the pancreas that acts as an exocrine gland, consisting of the pancreatic acini, which produce pancreatic juice and secrete it into the intestine to aid in protein digestion. [TFD][VHOG] In the hagfish and lampreys (our most primitive vertebrate species of today), the first sign of 'a new organ' is found as collections of endocrine cells around the area of the bile duct connection with the duodenum. These endocrine organs are composed of 99% beta cells and 1% somatostatin-producing delta cells. Compared to the more primitive protochordates (e.g. amphioxus), this represents a stage where all previously scattered insulin-producing cells of the intestinal tissue have now quantitatively migrated to found a new organ involved in sensing blood glucose rather than gut glucose. Only later in evolution, the beta cells are joined by exocrine tissue and alpha cells (exemplified by the rat-, rabbit- and elephant-fishes). Finally, from sharks and onwards in evolution, we have the islet PP-cell entering to complete the pancreas.[well established][VHOG] AAO:0010407 BTO:0000434 CALOHA:TS-1241 EMAPA:35328 EV:0100093 FMA:16017 MA:0002415 TAO:0001249 UMLS:C0553695 VHOG:0000048 XAO:0000137 ZFA:0001249 exocrine pancreas pars exocrina pancreatis uberon exocrine component of pancreas exocrine part of pancreas UBERON:0000017 exocrine pancreas UBERON:0000017 An organ of sight that includes the camera-type eyeball and supporting structures such as the lacrimal apparatus, the conjunctiva, the eyelid. A cavitated compound organ that transduces light waves into neural signals.[TAO] The eye of the adult lamprey is remarkably similar to our own, and it possesses numerous features (including the expression of opsin genes) that are very similar to those of the eyes of jawed vertebrates. The lamprey's camera-like eye has a lens, an iris and extra-ocular muscles (five of them, unlike the eyes of jawed vertebrates, which have six), although it lacks intra-ocular muscles. Its retina also has a structure very similar to that of the retinas of other vertebrates, with three nuclear layers comprised of the cell bodies of photoreceptors and bipolar, horizontal, amacrine and ganglion cells. The southern hemisphere lamprey, Geotria australis, possesses five morphological classes of retinal photoreceptor and five classes of opsin, each of which is closely related to the opsins of jawed vertebrates. Given these similarities, we reach the inescapable conclusion that the last common ancestor of jawless and jawed vertebrates already possessed an eye that was comparable to that of extant lampreys and gnathostomes. Accordingly, a vertebrate camera-like eye must have been present by the time that lampreys and gnathostomes diverged, around 500 Mya.[well established][VHOG] FMA distinguishes Eye (subdivision of face) which has its parts an Eyeball (organ), as well as other structures, and the orbit of skull. MA includes eyelid, conjunctiva and lacrimal apparatus as part of MA:eye - consistent with FMA - so we can infer that MA:eye is more like FMA:eye than FMA:eyeball. For other AOs this distinction is less meaningful - e.g. ZFA has no eyelid; XAO has no eyelid, but it has conjuctiva, which is considered part of the xao:eye. GO considers eyelid development part of eye development. See also notes on optic nerve - XAO, AAO and BTO consider this part of the eye. MA considers the eye muscles part of the eye, whereas FMA has a class 'orbital content' for this eye AAO:0010340 BTO:0004688 EHDAA2:0000484 EHDAA:936 EMAPA:16198 FMA:54448 MA:0000261 OpenCyc:Mx8Ngx4rwKSh9pwpEbGdrcN5Y29ycB4rvVil5pwpEbGdrcN5Y29ycB4rvViTvpwpEbGdrcN5Y29ycA TAO:0000107 UMLS:C0015392 UMLS:C1280202 VHOG:0000275 XAO:0000179 ZFA:0000107 regio orbitalis vertebrate eye uberon camera-type eye plus associated structures eyes orbital part of face orbital region UBERON:0000019 camera-type eye UBERON:0000019 An organ that is capable of transducing sensory stimulus to the nervous system. AEO:0000094 BSA:0000121 BTO:0000202 CALOHA:TS-2043 EHDAA2:0001824 EHDAA:500 EMAPA:16192 EMAPA:35955 FBbt:00005155 GAID:63 HAO:0000930 MA:0000017 MESH:D012679 UMLS:C0935626 VHOG:0001407 WBbt:0006929 organ of sense organ system organ of sensory organ system organ of sensory system sense organ system organ sensory organ sensory organ system organ sensory system organ sensillum uberon Sinnesorgan sensor UBERON:0000020 sense organ UBERON:0000020 Any hollow cylindrical anatomical structure containing a lumen through which substances are transported. not every anatomical conduit is a tube - for example, a bone foramen is an opening in the bone, and there is no distinct separate tube structure. Tubes may transport large mixed objects (for example, a bolus of food in the digestive tube) or they may transport the secretions of a single gland (for example, gland ducts) tubular galen:Tube anatomical tube duct uberon UBERON:0000025 tube UBERON:0000025 Major subdivision of an organism that protrudes from the body[DOS, CARO]. An appendage is an external body part, or natural prolongation, that protrudes from an organism's body, such as a vertebrate's limbs[BILA][BILA:0000018]. Organ or organ part that is attached to the body of an organism. For example a limb[GO, modified][GO:0048736]. appendicular this is currently a subtype of organism subdivision - which would exclude feathers AEO:0000193 BILA:0000018 BTO:0001492 CARO:0010003 EFO:0000799 EHDAA2:0003193 EV:0100155 FBbt:00007000 HAO:0000144 MAT:0000023 MESH:D005121 MIAA:0000023 OpenCyc:Mx4rvViC-JwpEbGdrcN5Y29ycA UMLS:C0598782 VSAO:0000075 XAO:0000218 uberon appendages extremitaet extremity limbs/digits/tail UBERON:0000026 appendage UBERON:0000026 The head is the anterior-most division of the body [GO]. Organism subdivision that is the part of the body consisting of the cranial and pharyngeal regions.[AAO] Organism subdivision which is the part of the body which consists of the cranial and pharygeal regions.[TAO] Vertebrate evolution has been characterized by a fresh and vast array of cranial structures that collectively form the head.[well established][VHOG] AAO:0010335 AEO:0000106 BILA:0000115 BTO:0000282 CALOHA:TS-0436 EFO:0000964 EHDAA2:0003106 EMAPA:31858 FBbt:00000004 FMA:7154 GAID:61 HAO:0000397 MA:0000023 MAT:0000294 MESH:D006257 MIAA:0000294 OpenCyc:Mx4rEOLm4rgPEdmAAAACs6hRjg OpenCyc:Mx4rvVi6YJwpEbGdrcN5Y29ycA SPD:0000016 TAO:0001114 TGMA:0000002 UMLS:C0018670 VHOG:0001644 WBbt:0005739 XAO:0003024 ZFA:0001114 galen:Head head (volume) adult head uberon cephalic area UBERON:0000033 head UBERON:0000033 multi-tissue structure that is comprised of a secretory epithelial layer (mesothelium) and a connective tissue layer. A multi-tissue structure that is comprised of a secretory epithelial layer and a connective tissue layer.[TAO] a smooth membrane consisting of a thin layer of cells which excrete serous fluid. Serous membranes line and enclose several body cavities, known as serous cavities, where they secrete a lubricating fluid which reduces friction from muscle movement. Serosa is not to be confused with adventitia, a connective tissue layer which binds together structures rather than reducing friction between them. Each serous membrane is composed of a secretory epithelial layer and a connective tissue layer underneath. The epithelial layer, known as mesothelium, consists of a single layer of avascular flat nucleated cells (cuboidal epithelium) which produce the lubricating serous fluid. This fluid has a consistency similar to thin mucus. These cells are bound tightly to the underlying connective tissue. The connective tissue layer provides the blood vessels and nerves for the overlying secretory cells, and also serves as the binding layer which allows the whole serous membrane to adhere to organs and other structures.[WP] in FMA, SM = mesothelium + connective tissue. It excludes the cavity. Serous sac = SM + cavity. Note that the SM is a subtype of wall in FMA. FMA:9581 GAID:19 MESH:D012704 TAO:0005425 UMLS:C0036760 ZFA:0005425 tunica serosa wall of serous sac uberon serosa UBERON:0000042 serous membrane UBERON:0000042 Dense regular connective tissue that connects muscle to bone[VSAO]. Dense regular connective tissue that connects muscle to bone.[VSAO] Phylogenetically, tendinous tissue first appears in the invertebrate chordate Branchiostoma as myosepta. This two-dimensional array of collagen fibers is highly organized, with fibers running along two primary axes. In hagfish the first linear tendons appear and the myosepta have developed specialized regions with unidirectional fiber orientation - a linear tendon within the flat sheet of myoseptum.[well established][VHOG] in FMA, tendon is an organ component that with parts dense-irregular-connective-tissue of tendon and dense-irregular-connective-tissue of tendon sheath; we follow VSAO in making it a subtype of the former. In VSAO tendons connect muscle to bone; in WP the def states integument (e.g. auricular muscles) - but JB confirms this is not actually tendon but aponeurosis AEO:0000091 BTO:0001356 CALOHA:TS-1021 EHDAA2:0003091 EMAPA:35854 EV:0100149 FMA:9721 GAID:276 MA:0000115 MESH:D013710 OpenCyc:Mx4rvVjefJwpEbGdrcN5Y29ycA UMLS:C0039508 VHOG:0001286 VSAO:0000073 XAO:0000173 ZFA:0005647 galen:Tendon uberon sinew tendo UBERON:0000043 tendon UBERON:0000043 An eye with one concave chamber. Note that 'simple' does not imply a reduced level of complexity or acuity. TGMA:0000729 uberon UBERON:0000047 simple eye UBERON:0000047 A tubular structure that contains, conveys body fluid, such as blood or lymph. uberon UBERON:0000055 vessel UBERON:0000055 Muscular duct that propels urine from the kidneys to the urinary bladder, or related organs. Anatomical structure consisting of long narrow duct which carries urine from the kidney to the urinary bladder.[AAO] The duct of amniotes that carries urine from a metanephric kidney to the urinary bladder. [Bemis_WE, Functional_Anatomy_of_the_Vertebrates:_An_Evolutionary_Perspective, Glossary_G-29, Grande_L, Liem_KF, Third_Edition_(2001)_Orlando_Fla.:_Harcourt_College_Publishers, Walker_WF][VHOG] The first embryonic hint of a metanephros is the formation of the metanephric duct that appears as a ureteric diverticulum arising at the base of preexisting mesonephric duct. The ureteric diverticulum grows dorsally into the posterior region of the nephric ridge. Here it enlarges and stimulates the growth of metanephric tubules that come to make up the metanephric kidney. The metanephros becomes the adult kidney of amniotes, and the metanephric duct is usually called the ureter.[well established][VHOG] ureteral ureteric in humans, consists of adventitial, muscular and mucoa layers AAO:0010254 BTO:0001409 CALOHA:TS-1084 EFO:0000930 EHDAA2:0002139 EHDAA:9341 EMAPA:17950 EV:0100097 FMA:9704 GAID:438 MA:0000378 MAT:0000120 MESH:D014513 MIAA:0000120 OpenCyc:Mx4rvhmm6JwpEbGdrcN5Y29ycA UMLS:C0041951 VHOG:0000605 XAO:0000144 galen:Ureter uberon metanephric duct UBERON:0000056 ureter UBERON:0000056 the fibromuscular tubular canal through which urine is discharged from the bladder to the exterior via the external urinary meatus; in males, the urethra is joined by the ejaculatory ducts and serves as a passageway for semen during ejaculation, as well as a canal for urine during voiding; in females, the urethra is shorter and emerges above the vaginal opening urethral In human males, the urethra travels through the penis, and carries semen as well as urine. In females, the urethra is shorter and emerges above the vaginal opening. BTO:0001426 CALOHA:TS-1132 EFO:0000931 EMAPA:30901 EV:0100099 FMA:19667 GAID:390 MA:0000379 MAT:0000121 MESH:D014521 MIAA:0000121 OpenCyc:Mx4rvVjkypwpEbGdrcN5Y29ycA UMLS:C0041967 VHOG:0001264 XAO:0000153 galen:Urethra uberon UBERON:0000057 urethra UBERON:0000057 A tubular structure that transports secreted or excreted substances. A tube shaped portion of tissue lined with epithelial cells that collects secretions and routes them to their destination[ZFA:0005171]. Most ducts, but not all, are exocrine gland ducts. Some ontologies classify structures such as the oviduct here. AAO:0011123 FBbt:00100314 FMA:30320 TAO:0005171 UMLS:C0687028 XAO:0004000 ZFA:0005171 galen:Duct anatomical duct exocrine duct exocrine gland duct uberon ducts UBERON:0000058 duct UBERON:0000058 Organ component adjacent to an organ cavity and which consists of a maximal aggregate of organ component layers. in FMA, serosa is a wall UBERON:0009915 wall EMAPA:25036 FMA:82482 galen:Wall wall of organ uberon organ wall UBERON:0000060 anatomical wall UBERON:0000060 Material anatomical entity that is a single connected structure with inherent 3D shape generated by coordinated expression of the organism's own genome. AAO:0010825 AEO:0000003 BILA:0000003 CARO:0000003 EHDAA2:0003003 EMAPA:0 FBbt:00007001 FMA:67135 GAID:781 HAO:0000003 MA:0003000 MESH:D000825 TAO:0000037 TGMA:0001823 VHOG:0001759 WBbt:0000100 XAO:0003000 ZFA:0000037 biological structure connected biological structure uberon UBERON:0000061 anatomical structure UBERON:0000061 Anatomical structure that performs a specific function or group of functions [WP]. Organs are commonly observed as visibly distinct structures, but may also exist as loosely associated clusters of cells that work together to perform a specific function or functions. CARO v1 does not include a generic 'organ' class, only simple and compound organ. CARO v2 may include organ, see https://github.com/obophenotype/caro/issues/4 CARO:0020004 EFO:0000634 EMAPA:35949 ENVO:01000162 FMA:67498 MA:0003001 OpenCyc:Mx4rv5XMb5wpEbGdrcN5Y29ycA OpenCyc:Mx4rwP3iWpwpEbGdrcN5Y29ycA UMLS:C0178784 WBbt:0003760 uberon anatomical unit body organ element UBERON:0000062 organ UBERON:0000062 A part of an organ that constitutes a distinct modular sub-unit. In some cases, the organ may also contain other sub-units of identical or similar types, in other cases this may be a distinct entity. FMA distinguishes segment from zone by whether the fiat boundaries are fixed/anchored (segments) or floating (zone). It's not completely clear how to apply this distinction Organ region with one or more anchored fiat boundaries. Examples: artery, trunk of nerve, cervical part of esophagus, pelvic part of vagina, horn of thyroid cartilage, anterior segment of eyeball. Organ region with one or more fixed or anchored fiat boundaries. Examples: artery, trunk of nerve, cervical part of esophagus, pelvic part of vagina, horn of thyroid cartilage, anterior segment of eyebal. FMA:86140 uberon organ region with fixed fiat boundary organ segment segment of organ UBERON:0000063 organ subunit UBERON:0000063 A multicellular structure that is a part of an organ. currently defined in a very broad sense, may be replaced by more specific classes in the future AAO:0011124 EFO:0000635 FMA:82472 cardinal organ part uberon regional part of organ UBERON:0000064 organ part UBERON:0000064 The stage of development at which the animal is fully formed, including immaturity and maturity. Includes both sexually immature stage, and adult stage. adult stage BTO:0001043 BilaDO:0000004 EFO:0001272 FBdv:00005369 WBls:0000041 XtroDO:0000084 fully formed animal stage juvenile-adult stage uberon UBERON:0000066 fully formed stage UBERON:0000066 A stage that is part of the embryo stage. embryonic stage part uberon UBERON:0000067 embryo stage part UBERON:0000067 A life cycle stage that starts with fertilization and ends with the fully formed embryo. BilaDO:0000002 EV:0300001 FBdv:00005289 FMA:72652 HsapDv:0000002 MmusDv:0000002 OGES:000000 OGES:000022 WBls:0000003 WBls:0000092 WBls:0000102 XAO:1000012 embryonic stage uberon embryogenesis UBERON:0000068 embryo stage UBERON:0000068 End of the life of an organism. ncit:Death is an outcome XAO:0000437 XtroDO:0000085 uberon death UBERON:0000071 death stage UBERON:0000071 Any part or collection of parts of the central or peripheral nervous system. Parts may span both CNS and PNS. Melissa Haendel 2009-06-18T09:00:04Z UMLS:C1518256 part of nervous system uberon UBERON:0000073 regional part of nervous system UBERON:0000073 Anatomical cluster consisting of the skeletal elements and articular elements that are part of an individual subdivision of the organism. UBERON:0010322 FMA:85544 UMLS:C1519343 galen:ComplexSkeletalStructure skeletal system subdivision uberon skeletal system part UBERON:0000075 subdivision of skeletal system UBERON:0000075 The surface (external) layer of ectoderm which begins to proliferate shortly after separation from the neuroectoderm. merge with non-neural. In vertebrates, the ectoderm has three parts: external ectoderm (also known as surface ectoderm), the neurectoderm (neural crest, and neural tube) (or external ectoderm) forms the following structures: Skin Epithelium of the mouth and nasal cavity saliavary glands, and glands of mouth and nasal cavity Enamel - as a side note dentin and dental pulp are formed from ectomesenchyme which is derived from ectoderm Epithelium of pineal and pituitary glands Lens and cornea of the eye Apical ectodermal ridge inducing development of the limb buds of the embryo. Sensory receptors in epidermis EHDAA2:0001968 EHDAA:1494 EHDAA:350 EHDAA:4784 EHDAA:4790 EHDAA:4796 EHDAA:7860 EMAPA:16096 FMA:87656 UMLS:C1515087 surface (external) ectoderm surface ectoderm uberon UBERON:0000076 external ectoderm UBERON:0000076 The second stage of the kidney. It serves as the main excretory organ of aquatic vertebrates and as a temporary embryonic kidney in higher vertebrates. It is composed of the mesonephric duct (also called the Wolffian duct), mesonephric tubules, and associated capillary tufts. A single tubule and its associated capillary tuft is called a mesonephric excretory unit; these units are similar in structure and function to nephrons of the adult kidney. The mesonephros is derived from intermediate mesoderm in the vertebrate embryo. A kidney formed of nephric tubules arising in the middle region of the nephric ridge; a transient embryonic stage that replaces the pronephros, but is itself replaced by the adult metanephros [in mammals; in fishes and amphibians it is the adult kidney]. [Evolution, Fourth_Edition_(2006)_McGraw-Hill, Function, Kardong_KV, Vertebrates:_Comparative_Anatomy, p.745][VHOG] Organ that is the definitive adult kidney. It replaces the earlier pronephros, which degenerates as the mesonephros becomes functional in feeding stage tadpoles.[AAO] As the pronephros regresses, the archinephric duct induces the sequential differentiation of tubules in the more caudal parts of the nephric ridge. (...) Tubules that differentiate in the middle part of the nephric ridge form a kidney called the mesonephros. This kidney functions in the embryos and larvae of all vertebrates. (...) In all vertebrate embryos, the kidney begins with the differentiation of a few renal tubules from the anterior end of the nephric ridge overlying the pericardial cavity. (...) This early-developing embryonic kidney is called the pronephros.[well established][VHOG] mesonephric In mammals, the mesonephros is the second of the three embryonic kidneys to be established and exists only transiently. In fish and amphibians, the mesonephros will form the mature kidney By contrast to the pronephros, the histological features of the mammalian mesonephros, with its primitive glomeruli, suggest that it probably functions as a primitive kidney, and is involved in the production of much of the amniotic fluid. Within the two mesonephroi, one located on either side of the dorsal mesentery of the hindgut, a substantial number (in the region of about 40 or more) of cranio-caudally segmented mesonephric tubules are formed. It has, however, been suggested that only the most rostrally located 4-6 pairs of mesonephric tubules drain into the mesonephric portion of the nephric duct. This is now seen to extend along the length of the mesonephroi, being located towards their lateral sides. The mesonephros is also retained over a considerably longer period than the pronephros, but gradually undergoes regression in a cranio-caudal direction. While the rostral part displays clear evidence of regression its more caudal part appears to display evidence of functional activity. Within the medial part of the mesonephros, vesicles are formed, although no glomeruli are formed there in this species. It is, however, difficult to believe that the relatively enormous mesonephroi do not have an excretory role in the mouse, only serving as a base for gonadal differentiation. In the human embryo, the medial part of the mesonephric tubules enlarges, become invaginated by capillaries, and form glomeruli. These then take on an excretory role. In the mouse, the mesonephric ducts appear to be patent throughout their length[GUDMAP, modified] AAO:0010384 BTO:0001542 CALOHA:TS-0624 EFO:0000928 EHDAA2:0001130 EHDAA:1581 EHDAA:5903 EMAPA:16744 EMAPA:27644 FMA:72171 GAID:1308 MESH:D001755 TAO:0000529 UMLS:C0025492 VHOG:0000038 XAO:0000141 ZFA:0000529 Wolffian body mesonephric kidney mesonephroi uberon amphibian adult kidney corpus Wolffi middle kidney opisthonephros opisto nephros opistonephros UBERON:0000080 mesonephros UBERON:0000080 In mammals, the metanephros is the excretory organ of the fetus, which develops into the mature kidney and is formed from the rear portion of the nephrogenic cord. The metanephros is an endocrine and metabolic organ that filters the blood and excretes the end products of body metabolism in the form of urine[GO] TODO check developmental relationships A kidney formed of nephric tubules arising in the posterior region of the nephric ridge and drained by a ureter; replaces the embryonic pronephros and mesonephros [in mammals]. [Evolution, Fourth_Edition_(2006)_McGraw-Hill, Function, Kardong_KV, Vertebrates:_Comparative_Anatomy, p.745][VHOG] The ureteric diverticulum grows dorsally into the posterior region of the nephric ridge. Here it enlarges and stimulates the growth of metanephric tubules that come to make up the metanephric kidney. The metanephros becomes the adult kidney of amniotes.[well established][VHOG] metanephric During the fifth week of gestation, the mesonephric duct develops an outpouching, the ureteric bud, near its attachment to the cloaca. This bud, also called the metanephrogenic diverticulum, grows posteriorly and towards the head of the embryo. The elongated stalk of the ureteric bud, the metanephric duct, later forms the ureter. As the cranial end of the bud extends into the intermediate mesoderm, it undergoes a series of branchings to form the collecting duct system of the kidney. It also forms the major and minor calyces and the renal pelvis BTO:0001543 EHDAA2:0001137 EHDAA:3089 EHDAA:5911 EMAPA:17207 EMAPA:17373 FMA:72172 UMLS:C0231049 VHOG:0000039 metanephron uberon definite kidney definitive kidney hind kidney metanephric kidney UBERON:0000081 metanephros UBERON:0000081 A mesonephric tubule is an epithelial tube that is part of the mesonephros[GO]. Genital ridge that is next to the mesonephros[WP]. TODO check Any of the renal tubules composing the mesonephros. In mammals they function as excretory structures during the early embryonic development but are later incorporated into the reproductive system. [TFD][VHOG] As the pronephros regresses, the archinephric duct induces the sequential differentiation of tubules in the more caudal parts of the nephric ridge. (...) Tubules that differentiate in the middle part of the nephric ridge form a kidney called the mesonephros. This kidney functions in the embryos and larvae of all vertebrates.[well established][VHOG] AAO:0010389 EHDAA2:0001134 EMAPA:27588 EMAPA:27659 VHOG:0000500 XAO:0000148 uberon renal tubules tubuli mesonephrici UBERON:0000083 mesonephric tubule UBERON:0000083 An epithelial swelling on the Wolffian duct that elongates to invade the adjacent metanephric mesenchyme[MP] Outgrowth of the mesonephric duct that penetrates the metanephric mesoderm and forms the ureter, renal pelvis, major and minor calyces and collecting ducts. [Embryology, See_Dudek_RW_and_Fix_JD, Third_Edition_(2004)_Philadelphia:_Lippincott_William_and_Wilkins, p.137][VHOG] Outgrowth of the mesonephric duct that penetrates the metanephric mesoderm and forms the ureter, renal pelvis, major and minor calyces and collecting ducts[VHOG:0000541]. The first embryonic hint of a metanephros is the formation of the metanephric duct that appears as a ureteric diverticulum arising at the base of preexisting mesonephric duct. The ureteric diverticulum grows dorsally into the posterior region of the nephric ridge. Here it enlarges and stimulates the growth of metanephric tubules that come to make up the metanephric kidney. The metanephros becomes the adult kidney of amniotes, and the metanephric duct is usually called the ureter.[well established][VHOG] BTO:0001646 EHDAA2:0002140 EHDAA:3091 EHDAA:5917 EMAPA:17209 EMAPA:17376 UMLS:C1284058 VHOG:0000541 uberon diverticulum diverticulum metanephricum gemma ureterica metanephric bud metanephric diverticulum ureteric ampulla ureteric diverticulum UBERON:0000084 ureteric bud UBERON:0000084 stage succeeding embryo, including mature structure In birds, the postnatal stage begins when the beak penetrates the shell (i.e., external pipping) (Brown et al. 1997) BilaDO:0000003 OGES:000010 OGES:000014 OGES:000024 WBls:0000022 WBls:0000093 WBls:0000103 postembryonic stage post-hatching stage uberon postembryonic UBERON:0000092 post-embryonic stage UBERON:0000092 Nonparenchymatous organ that primarily consists of dense connective tissue organized into a sheet which interconnects two or more organs, separates two or more body spaces from one another, or surrounds an organ or body part. Examples: interosseous membrane of forearm, obturator membrane, tympanic membrane, fibrous pericardium, fascia lata, dura mater. [FMA] cjm 2009-07-30T05:19:13Z membrane FMA:7145 membrane of organ uberon UBERON:0000094 membrane organ UBERON:0000094 An entire span of an organism's life, commencing with the zygote stage and ending in the death of the organism. FBdv:00000000 HsapDv:0000001 MmusDv:0000001 OGES:000011 ncithesaurus:Life entire life cycle entire lifespan life lifespan uberon UBERON:0000104 life cycle UBERON:0000104 A spatiotemporal region encompassing some part of the life cycle of an organism. this class represents a proper part of the life cycle of an organism. The class 'life cycle' should not be placed here the WBls class 'all stages' belongs here as it is the superclass of other WBls stages we map the ZFS unknown stage here as it is logically equivalent to saying *some* life cycle stage BILS:0000105 EFO:0000399 FBdv:00007012 FMA:24120 HsapDv:0000000 MmusDv:0000000 OlatDv:0000010 PdumDv:0000090 WBls:0000002 XAO:1000000 ZFS:0000000 ZFS:0100000 ncithesaurus:Developmental_Stage developmental stage stage uberon UBERON:0000105 life cycle stage UBERON:0000105 A stage at which the organism is a single cell produced by means of sexual reproduction. As in all metazoans, eumetazoan development begins with a fertilized egg, or zygote.[well established][VHOG] BILS:0000106 BilaDO:0000005 EFO:0001322 EHDAA:27 EMAPA:16033 FBdv:00005288 PdumDv:0000100 VHOG:0000745 XAO:1000001 ZFS:0000001 1-cell stage fertilized egg stage one cell stage uberon fertilized egg stage one-cell stage zygote zygotum UBERON:0000106 zygote stage UBERON:0000106 The first few specialized divisions of an activated animal egg; Stage consisting of division of cells in the early embryo. The zygotes of many species undergo rapid cell cycles with no significant growth, producing a cluster of cells the same size as the original zygote. The different cells derived from cleavage are called blastomeres and form a compact mass called the morula. Cleavage ends with the formation of the blastula. BILS:0000107 BilaDO:0000006 EFO:0001290 FBdv:00000054 MESH:A16.254.270 MmusDv:0000004 OGES:000015 OGES:000020 PdumDv:0000200 XAO:1000004 ZFS:0000046 uberon UBERON:0000107 cleavage stage UBERON:0000107 An early stage of embryonic development in animals. It is produced by cleavage of a fertilized ovum and consists of a spherical layer of around 128 cells surrounding a central fluid-filled cavity called the blastocoel. The blastula follows the morula and precedes the gastrula in the developmental sequence. consider adding a preceding stage 'morula stage' as part of cleavage BILS:0000108 BilaDO:0000007 EFO:0001282 HsapDv:0000006 MmusDv:0000007 OGES:000003 OGES:000016 OGES:000021 OpenCyc:Mx4rEetFnKP2EdqAAAACs4vPlg WBls:0000005 XAO:1000003 ZFS:0000045 uberon UBERON:0000108 blastula stage UBERON:0000108 A stage defined by complex and coordinated series of cellular movements that occurs at the end of cleavage during embryonic development of most animals. The details of gastrulation vary from species to species, but usually result in the formation of the three primary germ layers, ectoderm, mesoderm and endoderm. BILS:0000109 BilaDO:0000008 EFO:0001296 FBdv:00005317 HsapDv:0000010 MmusDv:0000013 OGES:000004 OGES:000019 WBls:0000010 XAO:1000005 ZFS:0000047 uberon blastocystis trilaminaris stage trilaminar blastocyst stage trilaminar blastoderm stage trilaminar disk stage trilaminar germ stage trilaminar stage UBERON:0000109 gastrula stage UBERON:0000109 Staged defined by the formation of a tube from the flat layer of ectodermal cells known as the neural plate. This will give rise to the central nervous system. BILS:0000110 BilaDO:0000009 HsapDv:0000012 MmusDv:0000017 XAO:1000006 uberon UBERON:0000110 neurula stage UBERON:0000110 A stage at which the ectoderm, endoderm, and mesoderm develop into the internal organs of the organism. BILS:0000111 BilaDO:0000010 HsapDv:0000015 MmusDv:0000018 OGES:000005 OGES:000032 uberon segmentation stage UBERON:0000111 organogenesis stage UBERON:0000111 A fasciculated bundle of neuron projections (GO:0043005), largely or completely lacking synapses. UBERON:0005163 CARO:0001001 FBbt:00005099 funiculus nerve fiber bundle neural fiber bundle uberon UBERON:0000122 neuron projection bundle UBERON:0000122 uberon UBERON:0000153 anterior region of body UBERON:0000153 uberon UBERON:0000154 posterior region of body UBERON:0000154 A thin sheet or layer of pliable tissue, serving as a covering or envelope of a part, as the lining of a cavity, as a partition or septum, or to connect two structures. membrane FMA:30322 FMA:82500 MESH:D008566 membranous organ component uberon UBERON:0000158 membranous layer UBERON:0000158 Segment of the alimentary canal extending from the stomach to the anus and, in humans and other mammals, consists of two segments, the small intestine and the large intestine. This class is probably too inclusive Portion of the alimentary canal bounded anteriorly by the pyloric sphincter and posteriorly by the cloacal sphincter.[AAO] The tract of the alimentary canal. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] intestinal In zebrafish, No stomach, small intestine, or large intestine can be distinguished. However, differences can be found in the morphology of the mucosa columnar epithelial cells and the number of goblet cells, suggesting functional differentiation. The intestine has numerous folds that become progressively shorter in a rostral-to-caudal direction. Proportionally, these folds are significantly larger than the finger-like intestinal villi of mammals and other amniotes (Wallace et al. 2005). Columnar-shaped absorptive enterocytes are the most numerous in the zebrafish intestinal epithelium. Goblet cells are the second most populous epithelial cell type. AAO:0000246 ANISEED:1235303 BSA:0000093 BTO:0000648 CALOHA:TS-0490 EFO:0000834 EMAPA:32874 EMAPA:35180 EV:0100071 FMA:7199 GAID:295 MA:0000328 MA:0001524 MESH:A03.492.411 MIAA:0000043 TAO:0001338 UMLS:C0021853 VHOG:0000056 WBbt:0005772 XAO:0000129 ZFA:0001338 galen:Intestine bowel uberon intestinal tract UBERON:0000160 intestine UBERON:0000160 Anatomical conduit that connects two adjacent body spaces (or a body space with the space surrounding the organism)[FMA,modified]. in FMA, this is an anatomical conduit *space*, rather than anatomical conduit anatomical ostium ostium FMA:3724 anatomical orifice hilum uberon UBERON:0000161 orifice UBERON:0000161 Common chamber into which the intestines and excretory system opens. Arises during development in all vertebrates, but in many it becomes subdivided, lost or incorporated into other structures adding df link to embryonic cloaca leads to a cycle in uberon-simple, as cloaca is a suberclass of embryonic cloaca A common passage for fecal, urinary, and reproductive discharge in most lower vertebrates as well as the terminal end of the hindgut before division into rectum, bladder, and genital primordia in mammalian embryos. [TFD][VHOG] Anatomical structure which is the common receptacle for the alimentary canal, Wolffian ducts, oviducts, and the bladder.[AAO] A cloaca is apparently a primitive vertebrate feature because it occurs in most primitive gnathostomes and persists in the embryos of almost all vertebrates.[well established][VHOG] cloacal Human beings only have an embryonic cloaca, which is split up into separate tracts during the development of the urinary and reproductive organs hindgut endoderm and proctodeal ectoderm. AAO:0000095 GAID:1206 MESH:D002988 UMLS:C0008987 VHOG:0001186 XAO:0000244 ZFA:0005781 uberon cloacal chamber vent UBERON:0000162 cloaca UBERON:0000162 endoderm-lined chamber that develops as pouch-like dilation of the caudal end of the hindgut and receives the allantois ventrally and two mesonephric ducts laterally; caudally it ends blindly at the cloacal membrane formed by the union of proctodeal (anal pit) ectoderm and cloacal endoderm, with no intervening mesoderm[MP]. this class represents the embryonic form of the cloaca, as found in both mammals and non-mammals. EHDAA2:0000256 EHDAA:4895 EMAPA:27573 EMAPA:27638 uberon cloaca UBERON:0000163 embryonic cloaca UBERON:0000163 the ventral part of the cloaca remaining after septation of the rectum, which further develops into part of the bladder, part of the prostatic part of the male urethra and the urethra and vestibule in females The ventral part of the cloaca after its separation from the rectum, giving rise to the lower part of the bladder in both sexes, to the prostatic portion of the male urethra, and to the urethra and vestibule in the female. [TFD][VHOG] In mammals the lowly monotremes still have a cloaca. Higher types have done away with this structure and have a separate anal outlet for the rectum. The monotreme cloaca shows the initiation of this subdivision. The cloaca has such includes only the distal part, roughly comparable to the proctodeum. The more proximal part is divided into (1) a large dorsal passage into which the intestine opens, the coprodeum, and (2) a ventral portion, the urodeum with which the bladder connects. (...) the development of the placental mammals recapitulates in many respects the phylogenetic story. In the sexually indifferent stage of placental mammal there is a cloaca. While the indifferent stage still persists, a septum develops, and extends out to the closing membrane. This divides the cloaca into two chambers: a coprodeum continuous with the gut above, and a urodeum or urogenital sinus below.[well established][VHOG] the term 'urogenital sinus' may refer to the primitive urogenital sinus present as a transient developmental structure in most mammals or it may refer to a condition in which an unseptated cloaca persists in animals longer than normal urogenital sinus EHDAA2:0004060 EHDAA:5029 EHDAA:5919 EMAPA:17211 EMAPA:17379 UMLS:C0231057 VHOG:0000414 UGS fetal UGS sinus urogenitalis uberon UBERON:0000164 primitive urogenital sinus UBERON:0000164 The proximal portion of the digestive tract, containing the oral cavity and bounded by the oral opening. In vertebrates, this extends to the pharynx and includes gums, lips, tongue and parts of the palate. Typically also includes the teeth, except where these occur elsewhere (e.g. pharyngeal jaws) or protrude from the mouth (tusks). Cavity in which food is initially ingested and generally contains teeth, tongue and glands.[AAO] Molecular and developmental cell lineage data suggest that the acoel mouth opening is homologous to the mouth of protostomes and deuterostomes and that the last common ancestor of the Bilateria (the 'urbilaterian') had only this single digestive opening.[well established][VHOG] oral some AOs place this as developing from the stomodeum but we weaken this to developmental contribution, as the mouth includes non-ectodermal derivatives in FMA, the tongue, palate etc are part of the mouth which is itself a subdivision of the face. ZFA includes a separate class 'oral region' which is part of the mouth, but excludes tongue and lips AAO:0010355 BTO:0001090 BTO:0004698 CALOHA:TS-1315 EFO:0000825 EHDAA2:0001326 EHDAA:542 EMAPA:16262 FBbt:00003126 FMA:49184 GAID:75 MA:0000341 MA:0002474 MAT:0000038 MESH:D009055 MIAA:0000038 OpenCyc:Mx4rvVidh5wpEbGdrcN5Y29ycA TADS:0000040 TAO:0000547 TAO:0000590 TGMA:0000131 VHOG:0000280 VHOG:0000812 XAO:0003029 ZFA:0000547 ZFA:0000590 galen:Mouth regio oralis adult mouth uberon cavital oralis cavitas oris cavum oris mouth cavity oral region oral vestibule rima oris stoma stomatodaeum trophic apparatus vestibule of mouth vestibulum oris UBERON:0000165 mouth UBERON:0000165 A portion of organism substance that is the product of an excretion process that will be eliminated from the body. An excretion process is elimination by an organism of the waste products that arise as a result of metabolic activity UBERON:0000324 UBERON:0007550 AEO:0000184 BTO:0000491 EHDAA2_RETIRED:0003184 ENVO:02000022 FMA:9674 galen:Excretion excreted substance portion of excreted substance waste substance uberon excretion UBERON:0000174 excreta UBERON:0000174 A fluid that is composed of blood plasma and erythrocytes. This class excludes blood analogues, such as the insect analog of blood. See UBERON:0000179 haemolymphatic fluid. A complex mixture of cells suspended in a liquid matrix that delivers nutrients to cells and removes wastes. (Source: BioGlossary, www.Biology-Text.com)[TAO] Highly specialized circulating tissue consisting of several types of cells suspended in a fluid medium known as plasma.[AAO] relationship loss: subclass specialized connective tissue (AAO:0000571)[AAO] Recent findings strongly suggest that the molecular pathways involved in the development and function of blood cells are highly conserved among vertebrates and various invertebrates phyla. (...) There is now good reason to believe that, in vertebrates and invertebrates alike, blood cell lineages diverge from a common type of progenitor cell, the hemocytoblast.[well established][VHOG] AAO:0000046 BTO:0000089 CALOHA:TS-0079 EFO:0000296 EHDAA2:0000176 EHDAA:418 EMAPA:16332 ENVO:02000027 EV:0100047 FMA:9670 GAID:965 MA:0000059 MESH:D001769 MIAA:0000315 OpenCyc:Mx4rvVjI8JwpEbGdrcN5Y29ycA TAO:0000007 UMLS:C0005767 VHOG:0000224 XAO:0000124 ZFA:0000007 galen:Blood portion of blood vertebrate blood uberon whole blood UBERON:0000178 blood UBERON:0000178 Circulating fluid that is part of the hemolymphoid system. Blood, lymph, interstitial fluid or its analogs. cjm 2009-04-08T04:38:19Z CARO:0000081 uberon blood or blood analog circulating fluid UBERON:0000179 haemolymphatic fluid UBERON:0000179 Organism at the blastula stage - an early stage of embryonic development in animals. It is produced by cleavage of a fertilized ovum and consists of a spherical layer of around 128 cells surrounding a central fluid-filled cavity called the blastocoel. The blastula follows the morula and precedes the gastrula in the developmental sequence. TODO - check relationship with epiblast. Note in FMA this is not a subclass of embryo, but in uberon embryo is the whole organism from zygote onwards and thus includes the blastula UBERON:0007011 BILA:0000059 BTO:0000128 GAID:1294 MESH:A16.254.270.274 OGEM:000006 OpenCyc:Mx4rEetFnKP2EdqAAAACs4vPlg blastula embryo uberon blastosphere UBERON:0000307 blastula UBERON:0000307 The upper ventral region of an animal's torso. The breasts of a female primate's body contain the mammary glands, which secrete milk used to feed infants. Both men and women develop breasts from the same embryological tissues. However, at puberty female sex hormones, mainly estrogens, promote breast development, which does not happen with men. As a result women's breasts become more prominent than men's. BTO:0000149 CALOHA:TS-2083 EV:0100124 FMA:9601 GAID:33 MESH:D001940 OpenCyc:Mx4rvVjV7ZwpEbGdrcN5Y29ycA UMLS:C0006141 galen:Breast mammary part of chest mammary region uberon mamma UBERON:0000310 breast UBERON:0000310 A mucosa that is part of a duodenum [Automatically generated definition]. UBERON:0003348 BTO:0000367 CALOHA:TS-0213 EMAPA:27235 FMA:14942 MA:0003207 Doudenal mucosa Duodenal mucous membrane mucosa of duodenum mucous membrane of duodenum uberon duodenum mucosa UBERON:0000320 duodenal mucosa UBERON:0000320 The branched tubular glands found in the mucosa of the fundus and body of the stomach which contain parietal cells that secrete hydrochloric acid and zymogenic cells that produce pepsin. BTO:0000503 EMAPA:27181 FMA:14919 uberon UBERON:0000325 gastric gland UBERON:0000325 The wall of the digestive tract. This encompasses all parts of the digestive tract with the exception of the lumen (cavity). We model the digestive tract as consisting of two parts: the wall and the lumen. BTO:0000547 FMA:45653 digestive tract wall wall of digestive tract wall of gut uberon wall of alimentary tract UBERON:0000328 gut wall UBERON:0000328 A lining of mostly endodermal origin, covered in epithelium, which is involved in absorption and secretion. They line various body cavities that are exposed to the external environment and internal organs. It is at several places continuous with skin: at the nostrils, the lips, the ears, the genital area, and the anus. The sticky, thick fluid secreted by the mucous membranes and gland is termed mucus. The term mucous membrane refers to where they are found in the body and not every mucous membrane secretes mucus[WP] mucosal FMA has mucosa vs region of mucosa; these are subtypes of Mucosa: Mucosa of gallbladder, tongue, .... The following are subtypes of Region of mucosa: Mucosa of zone of stomach, trachea, bronchus, dorsum of tongue.... Depends on whether the covered area is an organ or organ component. Uberon does not regard organ vs organ component as crucial distinction and thus collapses these into a single class deliberately AEO:0000199 BTO:0000886 CALOHA:TS-2031 EHDAA2_RETIRED:0003234 EV:0100382 FMA:85355 FMA:85358 GAID:297 MESH:D009092 OpenCyc:Mx4rvmKNOpwpEbGdrcN5Y29ycA UMLS:C0026724 galen:Mucosa mucosa of organ mucosa of organ part mucosal region mucous membrane organ mucosa uberon region of mucosa tunica mucosa UBERON:0000344 mucosa UBERON:0000344 functional part of an organ in the body. This is in contrast to the stroma, which refers to the structural tissue of organs, being exactly, connective tissues. parenchymal Early in development the mammalian embryo has three distinct layers: ectoderm (external layer), endoderm (internal layer) and in between those two layers the middle layer or mesoderm. The parenchyma of most organs is of ectodermal (brain, skin) or endodermal origin (lungs, gastrointestinal tract, liver, pancreas). The parenchyma of a few organs (spleen, kidneys, heart) is of mesodermal origin. The stroma of all organs is of mesodermal origin the FMA definition is more restrictive, and limits this to solid organs. This would seem to cause problems for the lung parenchyma, except FMA classifies Lung as solid rather than cavitated EHDAA:3015 EHDAA:3905 EHDAA:3999 EHDAA:4005 EHDAA:6899 EHDAA:6903 EHDAA:6994 EHDAA:8086 EHDAA:9182 EHDAA:9190 EHDAA:9196 EHDAA:9202 FMA:45732 UMLS:C0933845 uberon UBERON:0000353 parenchyma UBERON:0000353 The subdivision of the musculoskeletal system that consists of all the muscles of the body[VSAO, modified]. consider whether this should be restricted to skeletal musculature. See https://github.com/obophenotype/uberon/issues/77 Anatomical system that consists of the muscles of the body.[VSAO] we place the MA term musculature here, rather than under uberon:musculature, as this seems more appropriate given the structure of MA AAO:0000307 BILA:0000088 BTO:0001369 BTO:0001485 EFO:0000801 EMAPA:35578 FBbt:00005069 FMA:72954 MA:0002888 MAT:0000025 MIAA:0000025 VSAO:0000033 XAO:0004042 muscle system muscle system of body muscular system musculature system set of all muscles set of muscles of body vertebrate muscular system uberon muskelsystem UBERON:0000383 musculature of body UBERON:0000383 A gland in which the principal secretory cells are serous secreting cells. glands that secrete watery albuminous material that often contains enzymes[MP:0008052]. BTO:0001837 FMA:62889 uberon UBERON:0000409 serous gland UBERON:0000409 A gland in which the principal secretory cells are mucus secreting cells. In frogs and salamanders, this is the smaller of the two types of gland, the other being the granular (poison) gland. In these species the mucous gland is a cluster of cells that release secretion into a common duct[Kardong] AAO:0010601 BTO:0001979 FMA:62888 glandula mucosa uberon muciparous gland mucous secreting gland mucus gland mucus-secreting gland UBERON:0000414 mucous gland UBERON:0000414 A portion of organism substance that is produced by exocrine glands. BTO has two distunct classes, with exocrine glandular secretion a subtype of secretion - however, all examples in BTO directly under secretion appear to be exocrine gland secretions UBERON:0006540 secretion AEO:0001005 BTO:0002977 BTO:0002979 EMAPA:36535 FMA:9675 MA:0002504 MESH:D012634 UMLS:C1516992 galen:Secretion exocrine gland fluid/secretion secreted substance uberon exocrine gland fluid exocrine gland fluid or secretion exocrine gland secretion external secretion UBERON:0000456 bodily secretion UBERON:0000456 Material anatomical entity in a gaseous, liquid, semisolid or solid state; produced by anatomical structures or derived from inhaled and ingested substances that have been modified by anatomical structures as they pass through the body. AAO:0010839 AEO:0000004 BILA:0000004 CALOHA:TS-2101 CARO:0000004 EHDAA2:0003004 EMAPA:35178 FBbt:00007019 FMA:9669 HAO:0000004 MA:0002450 SPD:0000008 TAO:0001487 TGMA:0001824 VHOG:0001726 XAO:0004001 ZFA:0001487 galen:BodySubstance body fluid or substance body substance organism substance portion of body substance portion of organism substance uberon UBERON:0000463 organism substance UBERON:0000463 Non-material anatomical entity of three dimensions, that is generated by morphogenetic or other physiologic processes; is surrounded by one or more anatomical structures; contains one or more organism substances or anatomical structures. lumen space AAO:0010110 AEO:0000005 BILA:0000005 CARO:0000005 EHDAA2:0003005 FBbt:00007017 FMA:5897 HAO:0000005 TAO:0001668 TGMA:0001825 UMLS:C0524461 VHOG:0001728 XAO:0003190 ZFA:0001643 lumen space uberon anatomical spaces UBERON:0000464 anatomical space UBERON:0000464 Anatomical entity that has mass. AAO:0010264 AEO:0000006 BILA:0000006 CARO:0000006 EHDAA2:0003006 FBbt:00007016 FMA:67165 HAO:0000006 TAO:0001836 TGMA:0001826 VHOG:0001721 uberon UBERON:0000465 material anatomical entity UBERON:0000465 Anatomical entity that has no mass. AAO:0010265 AEO:0000007 BILA:0000007 CARO:0000007 EHDAA2:0003007 FBbt:00007015 FMA:67112 HAO:0000007 TAO:0001835 TGMA:0001827 VHOG:0001727 immaterial physical anatomical entity uberon UBERON:0000466 immaterial anatomical entity UBERON:0000466 Multicellular, connected anatomical structure that has multiple organs as parts and whose parts work together to achieve some shared function. system AAO:0000007 AEO:0000011 BILA:0000011 BSA:0000049 CALOHA:TS-2088 CARO:0000011 EHDAA2:0003011 EHDAA:392 EMAPA:16103 EV:0100000 FBbt:00004856 FMA:7149 HAO:0000011 MA:0000003 OpenCyc:Mx4rCWM0QCtDEdyAAADggVbxzQ TAO:0001439 TGMA:0001831 UMLS:C0460002 VHOG:0001725 WBbt:0005746 WBbt:0005763 XAO:0003002 ZFA:0001439 galen:AnatomicalSystem body system connected anatomical system organ system uberon anatomical systems UBERON:0000467 anatomical system UBERON:0000467 Anatomical structure that is an individual member of a species and consists of more than one cell. TODO - split body and mc organism? body continues after death stage organismal AAO:0010026 AEO:0000191 BILA:0000012 BSA:0000038 BTO:0000042 CARO:0000012 EFO:0002906 EHDAA2:0003103 EHDAA2:0003191 EHDAA:1 EHDAA:9178 EMAPA:25765 EV:0100016 FBbt:00000001 FMA:256135 HAO:0000012 TADS:0000001 TAO:0001094 TGMA:0001832 VHOG:0000671 WBbt:0007833 XAO:0003004 ZFA:0001094 galen:Organism ncithesaurus:Whole_Organism multi-cellular organism organism whole organism animal uberon Koerper body whole body UBERON:0000468 multicellular organism UBERON:0000468 Multi-tissue structure that is part of a compound organ. this class was introduced for consistency with CARO, however, it has yet to be used in this or other ontologies. It may be retired in the future AAO:0010017 AEO:0000019 BILA:0000019 CARO:0000019 EHDAA2:0003019 HAO:0000019 TAO:0001489 TGMA:0001835 XAO:0003039 ZFA:0001489 uberon compound organ components UBERON:0000471 compound organ component UBERON:0000471 The organs and associated structures associated with bearing offspring in a female animal. By far, sexual reproduction is the more common pattern among living vertebrate forms and its widespread occurrence suggests that it is the plesiomorphic, or primitive, reproductive mode among the vertebrates.[well established][VHOG] BTO:0000083 CALOHA:TS-1303 EFO:0000969 EHDAA2:0000506 EHDAA:8116 EMAPA:17959 EV:0100110 FBbt:00004864 FMA:45663 GAID:364 HAO:0000324 MA:0000381 MESH:D005836 MIAA:0000028 OpenCyc:Mx4rvVipTZwpEbGdrcN5Y29ycA TGMA:0000635 UMLS:C0700038 VHOG:0000726 WBbt:0006748 WikipediaCategory:Female_reproductive_system XAO:0000156 female organism genitalia female organism reproductive system genitalia of female organism reproductive system of female organism uberon female genital system female genital tract female genitalia female genitals female reproductive tract gynaecological tissue systema genitale femininum UBERON:0000474 female reproductive system UBERON:0000474 Anatomical structure which is a subdivision of a whole organism, consisting of components of multiple anatomical systems, largely surrounded by a contiguous region of integument. Reflects CARO2. todo - check the inclusion of FMA 'cardinal body part here', and check child terms for consistency AAO:0010053 AEO:0000032 BILA:0000032 CALOHA:TS-2084 CARO:0000032 EFO:0000808 EHDAA2:0003032 EMAPA:36031 FBbt:00007009 FMA:7153 HAO:0000032 MA:0002433 MAT:0000293 MESH:D001829 MIAA:0000293 OpenCyc:Mx4rvViAHJwpEbGdrcN5Y29ycA TAO:0001308 TGMA:0001840 UMLS:C0229962 VHOG:0001758 XAO:0003013 ZFA:0001308 galen:BodyPart anatomic region uberon body part body region cardinal body part UBERON:0000475 organism subdivision UBERON:0000475 Anatomical structure that consists of cell parts and cell substances and together does not constitute a cell or a tissue. AAO:0010268 AEO:0000040 BILA:0000040 CARO:0000040 EHDAA2:0003040 FBbt:00007013 FMA:63863 HAO:0000040 TAO:0000382 TGMA:0001841 XAO:0003162 ZFA:0000382 uberon acellular anatomical structures UBERON:0000476 acellular anatomical structure UBERON:0000476 Anatomical group that has its parts adjacent to one another. Will be obsoleted in CARO v2 [https://github.com/obophenotype/caro/issues/3] AAO:0010009 AEO:0000041 BILA:0000041 CARO:0000041 EHDAA2:0003041 FBbt:00007277 FMA:49443 HAO:0000041 TADS:0000605 TAO:0001478 TGMA:0001842 VHOG:0001737 XAO:0003160 ZFA:0001478 uberon UBERON:0000477 anatomical cluster UBERON:0000477 Multicellular anatomical structure that consists of many cells of one or a few types, arranged in an extracellular matrix such that their long-range organisation is at least partly a repetition of their short-range organisation. changed label and definition to reflect CARO2 AAO:0000607 AAO:0010054 AEO:0000043 BILA:0000043 CALOHA:TS-2090 CARO:0000043 EHDAA2:0003043 EMAPA:35868 FBbt:00007003 FMA:9637 HAO:0000043 MA:0003002 MESH:D014024 TAO:0001477 TGMA:0001844 UMLS:C0040300 VHOG:0001757 WBbt:0005729 XAO:0003040 ZFA:0001477 galen:Tissue portion of tissue tissue portion simple tissue uberon UBERON:0000479 tissue UBERON:0000479 Anatomical structure that has as its parts two or more portions of tissue of at least two different types and which through specific morphogenetic processes forms a single distinct structural unit demarcated by bona-fide boundaries from other distinct structural units of different types. AAO:0010048 AEO:0000055 BILA:0000055 CARO:0000055 EHDAA2:0003055 FBbt:00007010 HAO:0000055 TAO:0001488 TGMA:0001847 VHOG:0001762 XAO:0003037 ZFA:0001488 uberon multi-tissue structures UBERON:0000481 multi-tissue structure UBERON:0000481 Portion of tissue, that consists of one or more layers of epithelial cells connected to each other by cell junctions and which is underlain by a basal lamina. Examples: simple squamous epithelium, glandular cuboidal epithelium, transitional epithelium, myoepithelium[CARO]. The two basic types of metazoan tissue are epithelial and connective. The simplest metazoans, and developmental stages of many primitive invertebrates, consist solely of these two layers. Thus, epithelial and connective tissues may be the primary (original) tissues of metazoans, and both are important in the functional organization of animals.[well established][VHOG] epithelial AAO:0000144 AAO:0010055 AEO:0000066 BILA:0000066 BTO:0000416 CALOHA:TS-0288 CARO:0000066 EHDAA2:0003066 EMAPA:32738 FBbt:00007005 FMA:9639 GAID:402 HAO:0000066 MA:0003060 MESH:D004848 TAO:0001486 UMLS:C0014609 VHOG:0000387 XAO:0003045 ZFA:0001486 epithelial tissue portion of epithelium uberon UBERON:0000483 epithelium UBERON:0000483 Unilaminar epithelium, which consists of a single layer of columnar cells. Examples: ciliated columnar epithelium, gastric epithelium, microvillus columnar epithelium.[FMA] columnar epithelium columnar epithlium AAO:0010063 AEO:0000068 BILA:0000068 CARO:0000068 EHDAA2_RETIRED:0003068 FBbt:00007027 FMA:45567 HAO:0000068 TAO:0001496 UMLS:C0836135 XAO:0004008 ZFA:0001496 epithelium simplex columnare simple columnar epithelium uberon simple columnar epithelia UBERON:0000485 simple columnar epithelium UBERON:0000485 Epithelium which consists of more than one layer of epithelial cells that may or may not be in contact with a basement membrane. Examples: keratinized stratified squamous epithelium, ciliated stratified columnar epithelium.[FMA] Epithelium that consists of more than one layer of epithelial cells.[CARO] AAO:0010059 AEO:0000069 BILA:0000069 BTO:0002074 CARO:0000069 EHDAA2:0003069 FMA:45562 HAO:0000069 TAO:0001494 UMLS:C0682575 XAO:0004006 ZFA:0001494 stratified epithelium uberon laminated epithelium UBERON:0000486 multilaminar epithelium UBERON:0000486 Unilaminar epithelium which consists of a single layer of squamous cells. Examples: pulmonary alveolar epithelium, endothelium.[FMA] Unilaminar epithelium that consists of a single layer of squamous cells.[CARO] AAO:0010066 AEO:0000070 BILA:0000070 BTO:0002073 CARO:0000070 EHDAA2:0003070 FMA:45565 HAO:0000070 TAO:0001498 UMLS:C0836133 XAO:0004010 ZFA:0001498 epithelium simplex squamosum uberon simple squamous epithelia UBERON:0000487 simple squamous epithelium UBERON:0000487 Compound organ that contains one or more macroscopic anatomical spaces. this class was introduced for consistency with CARO, however, it has yet to be used in this or other ontologies. It may be retired in the future AAO:0010016 AEO:0000072 BILA:0000072 CARO:0000072 EHDAA2:0003072 FMA:55671 HAO:0000072 TAO:0001490 TGMA:0001857 VHOG:0001730 XAO:0003165 ZFA:0001490 cavitated organ uberon cavitated compound organs UBERON:0000489 cavitated compound organ UBERON:0000489 Epithelium which consists of a single layer of epithelial cells. Examples: endothelium, mesothelium, glandular squamous epithelium.[FMA] consider adding disjointness axiom between unilaminar and multilaminar - but note that this will render EHDAA2:0003244 (chorionic trophoblast) unsatisfiable Epithelium that consists of a single layer of epithelial cells.[CARO] AAO:0010062 AEO:0000073 BILA:0000073 BTO:0002073 CARO:0000073 EHDAA2:0003073 FMA:45561 HAO:0000073 TAO:0001495 UMLS:C0682574 XAO:0004007 ZFA:0001495 simple epithelium uberon unilaminar epithelia UBERON:0000490 unilaminar epithelium UBERON:0000490 Mucus is a bodily fluid consisting of a slippery secretion of the lining of the mucous membranes in the body. It is a viscous colloid containing antiseptic enzymes (such as lysozyme) and immunoglobulins. Mucus is produced by goblet cells in the mucous membranes that cover the surfaces of the membranes. It is made up of mucins and inorganic salts suspended in water. mucoid mucous CALOHA:TS-2144 ENVO:02000040 FMA:66938 GAID:1164 MESH:D009093 OpenCyc:Mx4rvVjHq5wpEbGdrcN5Y29ycA UMLS:C0026727 galen:Mucus uberon UBERON:0000912 mucus UBERON:0000912 Subdivision of trunk that lies between the head and the abdomen. note that we use the slightly verbose term 'thoracic segment of trunk' to avoid confusuon with insect thorax. todo - taxonomic constraints. Also, in FMA 'thorax' is a synonym for chest EMAPA:35862 FMA:259209 MA:0000022 thorax uberon anterior subdivision of trunk upper body upper trunk UBERON:0000915 thoracic segment of trunk UBERON:0000915 The subdivision of the vertebrate body between the thorax and pelvis. The ventral part of the abdomen contains the abdominal cavity and visceral organs. The dorsal part includes the abdominal section of the vertebral column. Vertebrate specific. In arthropods 'abdomen' is the most distal section of the body which lies behind the thorax or cephalothorax. If need be we can introduce some grouping class abdominal celiac BTO:0000020 CALOHA:TS-0001 EFO:0000968 EMAPA:35102 EV:0100011 FMA:9577 GAID:16 MA:0000029 MAT:0000298 MESH:A01.047 MIAA:0000298 OpenCyc:Mx4rvVjgyZwpEbGdrcN5Y29ycA galen:Abdomen abdominopelvic region abdominopelvis uberon adult abdomen belly celiac region UBERON:0000916 abdomen UBERON:0000916 Anatomical entity that comprises the organism in the early stages of growth and differentiation that are characterized by cleavage, the laying down of fundamental tissues, and the formation of primitive organs and organ systems. For example, for mammals, the process would begin with zygote formation and end with birth. For insects, the process would begin at zygote formation and end with larval hatching. For plant zygotic embryos, this would be from zygote formation to the end of seed dormancy. For plant vegetative embryos, this would be from the initial determination of the cell or group of cells to form an embryo until the point when the embryo becomes independent of the parent plant. embryonic Obsoleted in ZFA. Note that embryo is not classified as an embryonic structure - an embryonic structure is only the parts of an embryo AAO:0011035 AEO:0000169 BILA:0000056 BSA:0000039 BTO:0000379 CALOHA:TS-0229 EFO:0001367 EHDAA2:0000002 EHDAA2_RETIRED:0003236 EHDAA:38 EMAPA:16039 FBbt:00000052 FMA:69068 GAID:963 MAT:0000226 MESH:D004622 MIAA:0000019 OGEM:000001 OpenCyc:Mx4rwP1ceZwpEbGdrcN5Y29ycA UMLS:C0013935 VHOG:0001766 XAO:0000113 ZFA:0000103 embryonic organism uberon developing organism developmental tissue UBERON:0000922 embryo UBERON:0000922 A layer of cells produced during the process of gastrulation during the early development of the animal embryo, which is distinct from other such layers of cells, as an early step of cell differentiation. The three types of germ layers are the endoderm, ectoderm, and mesoderm. The Bilateria are triploblastic (with true endoderm, mesoderm, and ectoderm) (...).[well established][VHOG] embryonic tissue AAO:0000480 BILA:0000035 BTO:0000556 EMAPA:36033 FBbt:00000110 FMA:69069 GAID:1303 MESH:A16.254.425 TAO:0001122 UMLS:C0920502 UMLS:C1708239 VHOG:0001223 XAO:0003011 ZFA:0001122 germinal layer primary germ layer uberon embryonic germ layer embryonic germ layers UBERON:0000923 Classically the germ layers are ectoderm, mesoderm and endoderm. Alternatively: primary = ectoderm, endoderm; secondary=mesoderm; tertiary=dorsal mesoderm, NC[https://github.com/obophenotype/uberon/wiki/The-neural-crest] germ layer UBERON:0000923 Primary germ layer that is the outer of the embryo's three germ layers and gives rise to epidermis and neural tissue. Primary germ layer that is the outer of the embryonic germ layers and gives rise to epidermis and neural tissue.[AAO] The Bilateria are triploblastic (with true endoderm, mesoderm, and ectoderm) (...).[well established][VHOG] ectodermal AAO:0000137 BILA:0000036 BTO:0000315 CALOHA:TS-0216 EFO:0000414 EHDAA2:0000428 EMAPA:16069 EV:0100003 FBbt:00000111 FMA:69070 GAID:1304 MAT:0000155 MAT:0000173 MESH:A16.254.425.273 MIAA:0000173 TAO:0000016 UMLS:C0013574 VHOG:0000153 XAO:0000001 ZFA:0000016 embryonic ectoderm uberon UBERON:0000924 ectoderm UBERON:0000924 Primary germ layer that lies remote from the surface of the embryo and gives rise to internal tissues such as gut. The Bilateria are triploblastic (with true endoderm, mesoderm, and ectoderm) (...).[well established][VHOG] endodermal AAO:0000139 BILA:0000038 BTO:0000800 CALOHA:TS-0273 EFO:0002545 EHDAA2:0000436 EMAPA:16062 EV:0100005 FBbt:00000125 FMA:69071 GAID:1305 MAT:0000175 MESH:A16.254.425.407 MIAA:0000175 TAO:0000017 UMLS:C0014144 VHOG:0000154 XAO:0000090 ZFA:0000017 uberon entoderm UBERON:0000925 endoderm UBERON:0000925 The middle germ layer of the embryo, between the endoderm and ectoderm. Primary germ layer that is the middle of the embryonic germ layers.[AAO] The Bilateria are triploblastic (with true endoderm, mesoderm, and ectoderm) (...).[well established][VHOG] mesodermal sponges do not seem to have a mesoderm and accordingly Amphimedon lacks transcription factors involved in mesoderm development (Fkh, Gsc, Twist, Snail)[http://www.nature.com/nature/journal/v466/n7307/full/nature09201.html]. Mesoderm may not be homologous across verteberates UBERON:0003263 AAO:0000304 BILA:0000037 BTO:0000839 CALOHA:TS-0623 EFO:0001981 EHDAA2:0001128 EHDAA:124 EHDAA:160 EHDAA:168 EHDAA:183 EMAPA:16083 EV:0100006 FBbt:00000126 FMA:69072 GAID:522 MAT:0000174 MESH:A16.254.425.660 MIAA:0000174 TAO:0000041 UMLS:C0025485 VHOG:0000152 XAO:0000050 ZFA:0000041 uberon embryonic mesoderm entire mesoderm mesodermal mantle UBERON:0000926 mesoderm UBERON:0000926 Anterior part of the embryonic digestive tract that develops into a mouth. The stomodeum includes as parts an invagination of the ectoderm and the stomodeal cavity. consider indicating location. e.g. anterior. Note some AOs place this as part of oral opening, but it's not clear when this structure comes into existence Anterior part of the embryonic alimentary canal formed as an invagination of the ectoderm; the future mouth.[TAO] the primordial mouth region of the developing head, initially a midline ectodermal depression between the forebrain bulge (cranially) and the heart bulge (caudally) and between the maxillary and mandibular components of the first pharyngeal arch; the stomodeum is separated from the anterior end of the foregut by the buccopharyngeal membrane; the mouth is developed partly from the stomodeum, and partly from the floor of the anterior portion of the foregut; the lips, teeth, and gums are formed from the walls of the stomodeum, but the tongue is developed in the floor of the pharynx stomodeal This class groups together disparate structures as all being the anterior part of the early metazoan digestive tract and precursor of the mouth. However, the developmental processes vary, so this class may be split in future. E.g. in mammals it is a rostral depression surrounded by prominences. Outgrowth of the prominences produces a stomodeal cavity. stomodeal-hypophyseal primordium BTO:0004224 EHDAA2:0001929 EMAPA:16263 FBbt:00000439 FMA:295846 TAO:0001290 TGMA:0000135 UMLS:C1514977 XAO:0000269 ZFA:0001290 mouth primordium primitive oral cavity stomatodeum stomodaeum uberon mouth pit oral ectoderm oral pit UBERON:0000930 stomodeum UBERON:0000930 Inward fold on the surface of the embryonic ectoderm that develops into an ectodermal terminal part of the digestive tract. removed WBbt:0006795 'proctodeum' - junction between the alimentary and genital tracts in the male. An inward fold on the surface of the embryonic ectoderm that develops into part of the anal passage.[TAO] Inward fold on the surface of the embryonic ectoderm that develops into part of the anal passage.[AAO] proctodeal AAO:0011087 EHDAA2:0000121 EMAPA:25038 FBbt:00000123 TAO:0000066 UMLS:C0231054 VHOG:0000139 XAO:0001019 ZFA:0000066 embryonic proctodaeum proctodaeum amnioproctodeal invagination uberon anal pit anus porus UBERON:0000931 proctodeum UBERON:0000931 An expanded region of the vertebrate alimentary tract that serves as a food storage compartment and digestive organ. A stomach is lined, in whole or in part by a glandular epithelium. Portion of alimentary canal with increased circular and longitudinal smooth muscle. Bounded posteriorly by the pyloric sphincter. Mucosal lining has increased folding.[AAO] It appears that the stomach has an ancient origin. The stomach first appears in the fish lineage. The prevertebrate chordates do not have a true stomach, whereas the cartilaginous and bony fish do. Although most fish do have a true stomach, some fish species appear to have lost the stomach secondarily. The remaining vertebrate lineages do have a true stomach (at least in the adult animal), although there is great variation in the size and shape of the stomach.[well established][VHOG] We restrict this to the vertebrate specific structure - see the grouping class 'food storage organ' for analogous structures in other species. Teleosts: Zebrafish is functionally stomach-less, but may retain ontogenic footprint. Although the precise shape and size of the stomach varies widely among different vertebrates, the relative positions of the oesophageal and duodenal openings remain relatively constant. As a result, the organ always curves somewhat to the left before curving back to meet the pyloric sphincter. However, lampreys, hagfishes, chimaeras, lungfishes, and some teleost fish have no stomach at all, with the oesophagus opening directly into the intestine. The gastric lining is usually divided into two regions, an anterior portion lined by fundic glands, and a posterior with pyloric glands. Cardiac glands are unique to mammals, and even then are absent in a number of species. The distributions of these glands vary between species, and do not always correspond with the same regions as in man. Furthermore, in many non-human mammals, a portion of the stomach anterior to the cardiac glands is lined with epithelium essentially identical to that of the oesophagus. Ruminants, in particular, have a complex stomach, the first three chambers of which are all lined with oesophageal mucosa AAO:0000579 ANISEED:1235297 BTO:0001307 CALOHA:TS-0980 EFO:0000837 EHDAA2:0001915 EHDAA:2993 EMAPA:17021 EV:0100070 FMA:7148 GAID:293 MA:0000353 MAT:0000051 MESH:A03.492.766 MIAA:0000051 OpenCyc:Mx4rvVjlqpwpEbGdrcN5Y29ycA TAO:0002121 UMLS:C0038351 VHOG:0000408 XAO:0000128 galen:Stomach stomach chamber uberon Ventricular anterior intestine gaster mesenteron ventriculus UBERON:0000945 stomach UBERON:0000945 A myogenic muscular circulatory organ found in the vertebrate cardiovascular system composed of chambers of cardiac muscle. It is the primary circulatory organ. Blood pumping organ composed of four chambers: sinus venosus, atrium, cardiac ventricle and bulbus arteriosus.[TAO] Part of the circulatory system responsible for pumping blood; composed of three chambers--two atria and one ventricle.[AAO] relationship type change: differentiates_from lateral plate mesoderm (AAO:0010574) CHANGED TO: develops_from lateral plate mesoderm (UBERON:0003081)[AAO] As noted, the hearts of birds and mammals have four chambers that arises from the two chambers (atrium and ventricle) of the fish heart.[well established][VHOG] cardiac AAO:0010210 BILA:0000020 BTO:0000562 CALOHA:TS-0445 EFO:0000815 EHDAA2:0000738 EHDAA:420 EMAPA:16105 EV:0100018 FMA:7088 GAID:174 MA:0000072 MAT:0000036 MESH:D006321 MIAA:0000036 OpenCyc:Mx4rvVjvDpwpEbGdrcN5Y29ycA TAO:0000114 UMLS:C0018787 VHOG:0000276 XAO:0000064 ZFA:0000114 galen:Heart chambered heart vertebrate heart branchial heart uberon Herz@de cardium UBERON:0000948 Taxon notes:" the ascidian tube-like heart lacks chambers....The ascidian heart is formed after metamorphosis as a simple tube-like structure with a single-layered myoepithelium that is continuous with a single-layered pericar- dial wall. It lacks chambers and endocardium.... The innovation of the chambered heart was a key event in vertebrate evolution, because the chambered heart generates one-way blood flow with high pressure, a critical requirement for the efficient blood supply of large-body vertebrates... all extant vertebrates have hearts with two or more chambers (Moorman and Christoffels 2003)" http://dx.doi.org/10.1101/gad.1485706 heart UBERON:0000948 Anatomical system that consists of the glands and parts of glands that produce endocrine secretions and help to integrate and control bodily metabolic activity. Anatomical system containing glands which regulates bodily functions though the secretion of hormones.[AAO] Multicellular organisms have complex endocrine systems, allowing responses to environmental stimuli, regulation of development, reproduction, and homeostasis. Nuclear receptors (NRs), a metazoan-specific family of ligand-activated transcription factors, play central roles in endocrine responses, as intermediates between signaling molecules and target genes. The NR family includes ligand-bound and orphan receptors, that is, receptors with no known ligand or for which there is no ligand Pocket. Understanding NR evolution has been further improved by comparison of several completed genomes, particularly those of deuterostomes and ecdysozoans. In contrast, evolution of NR ligands is still much debated. One hypothesis proposes that several independent gains and losses of ligand-binding ability in NRs occurred in protostomes and deuterostomes. A second hypothesis, pertaining to the NR3 subfamily (vertebrate steroid hormone receptors and estrogen related receptor), proposes that before the divergence of protostomes and deuterostomes, there was an ancestral steroid receptor (AncSR) that was ligand-activated and that orphan receptors secondarily lost the ability to bind a ligand. (...) Our analysis reveals that steroidogenesis has been independently elaborated in the 3 main bilaterian lineages (...).[well established][VHOG] endocrine AAO:0010279 CALOHA:TS-1301 EFO:0002969 EHDAA2:0002224 EMAPA:35306 EV:0100128 FBbt:00005068 FMA:9668 GAID:439 MA:0000012 MESH:D004703 TAO:0001158 UMLS:C0014136 VHOG:0000098 XAO:0000158 ZFA:0001158 endocrine glandular system endocrine system systema endocrinum uberon UBERON:0000949 endocrine system UBERON:0000949 The brain is the center of the nervous system in all vertebrate, and most invertebrate, animals. Some primitive animals such as jellyfish and starfish have a decentralized nervous system without a brain, while sponges lack any nervous system at all. In vertebrates, the brain is located in the head, protected by the skull and close to the primary sensory apparatus of vision, hearing, balance, taste, and smell[WP]. requires review for applicability to invertebrate structures, e.g. synganglion Cavitated compound organ which is comprised of gray and white matter and surrounds the cerebral ventricular system.[TAO] Part of the central nervous system situated within the cranium and composed of both nerve cell bodies and nerve fibers.[AAO] The part of the central nervous system contained within the cranium, comprising the forebrain, midbrain, hindbrain, and metencephalon. It is derived from the anterior part of the embryonic neural tube (or the encephalon). Does not include retina. (CUMBO) (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...) (reference 1); The neural tube is destined to differentiate into the brain and spinal cord (the central nervous system) (reference 2).[well established][VHOG] AAO:0010478 ABA:Brain BAMS:Br BAMS:Brain BILA:0000135 BTO:0000142 CALOHA:TS-0095 DHBA:10155 EFO:0000302 EHDAA2:0000183 EHDAA:2641 EHDAA:6485 EMAPA:16894 EV:0100164 FBbt:00005095 FMA:50801 GAID:571 HBA:4005 MA:0000168 MAT:0000098 MESH:D001921 MIAA:0000098 OpenCyc:Mx4rvVjT65wpEbGdrcN5Y29ycA PBA:3999 TAO:0000008 UMLS:C0006104 UMLS:C1269537 VHOG:0000157 XAO:0000010 ZFA:0000008 galen:Brain http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=21 uberon encephalon suprasegmental levels of nervous system suprasegmental structures synganglion the brain UBERON:0000955 brain UBERON:0000955 the transparent anterior portion of the fibrous coat of the eye that serves as the chief refractory structure corneal Compared to terrestial animals, the cornea of zebrafish is relatively flat. It consists of nonpigmented, stratified squamous nonkeratinizing epithelial cells, attached to a thick basement membrane that is considered to be analogous to the Bowman's membrane in mammals. In fish, and aquatic vertebrates in general, the cornea plays no role in focusing light, since it has virtually the same refractive index as water AAO:0010344 BTO:0000286 CALOHA:TS-0171 EFO:0000377 EHDAA2:0000316 EHDAA:10199 EMAPA:17161 EV:0100341 FMA:58238 GAID:892 MA:0000266 MESH:D003315 OpenCyc:Mx4rvViBa5wpEbGdrcN5Y29ycA TAO:0000640 UMLS:C0010031 VHOG:0000164 XAO:0000180 ZFA:0000640 cornea of camera-type eye uberon corneas tunica cornea UBERON:0000964 cornea UBERON:0000964 Transparent part of camera-type eye that helps to refract light to be focused on the retina. The eye of the adult lamprey is remarkably similar to our own, and it possesses numerous features (including the expression of opsin genes) that are very similar to those of the eyes of jawed vertebrates. The lamprey's camera-like eye has a lens, an iris and extra-ocular muscles (five of them, unlike the eyes of jawed vertebrates, which have six), although it lacks intra-ocular muscles. Its retina also has a structure very similar to that of the retinas of other vertebrates, with three nuclear layers comprised of the cell bodies of photoreceptors and bipolar, horizontal, amacrine and ganglion cells. The southern hemisphere lamprey, Geotria australis, possesses five morphological classes of retinal photoreceptor and five classes of opsin, each of which is closely related to the opsins of jawed vertebrates. Given these similarities, we reach the inescapable conclusion that the last common ancestor of jawless and jawed vertebrates already possessed an eye that was comparable to that of extant lampreys and gnathostomes. Accordingly, a vertebrate camera-like eye must have been present by the time that lampreys and gnathostomes diverged, around 500 Mya.[well established][VHOG] This class excludes compound eye corneal lenses. AAO:0010348 BTO:0000723 CALOHA:TS-0545 EHDAA:9057 EMAPA:17838 EV:0100343 FMA:58241 MA:0000275 MAT:0000141 MESH:A09.371.509 MIAA:0000141 OpenCyc:Mx4rvVj0fZwpEbGdrcN5Y29ycA RETIRED_EHDAA2:0000975 TAO:0000035 UMLS:C0023317 VHOG:0000169 XAO:0000008 ZFA:0000035 camera-type eye lens eye lens lens lens crystallina uberon crystalline lens lenses ocular lens UBERON:0000965 The lens is avascular and nourished by diffusion from the aqueous and vitreous lens of camera-type eye UBERON:0000965 The retina is the innermost layer or coating at the back of the eyeball, which is sensitive to light and in which the optic nerve terminates. The portion of the eye developing from the optic primordium and including the neural retina and the retinal pigment layer. Kimmel et al, 1995.[TAO] The eye of the adult lamprey is remarkably similar to our own, and it possesses numerous features (including the expression of opsin genes) that are very similar to those of the eyes of jawed vertebrates. The lamprey's camera-like eye has a lens, an iris and extra-ocular muscles (five of them, unlike the eyes of jawed vertebrates, which have six), although it lacks intra-ocular muscles. Its retina also has a structure very similar to that of the retinas of other vertebrates, with three nuclear layers comprised of the cell bodies of photoreceptors and bipolar, horizontal, amacrine and ganglion cells. The southern hemisphere lamprey, Geotria australis, possesses five morphological classes of retinal photoreceptor and five classes of opsin, each of which is closely related to the opsins of jawed vertebrates. Given these similarities, we reach the inescapable conclusion that the last common ancestor of jawless and jawed vertebrates already possessed an eye that was comparable to that of extant lampreys and gnathostomes. Accordingly, a vertebrate camera-like eye must have been present by the time that lampreys and gnathostomes diverged, around 500 Mya.[well established][VHOG] retinal AAO:0010352 BAMS:R BTO:0001175 CALOHA:TS-0865 EFO:0000832 EHDAA2:0001627 EHDAA:4757 EMAPA:17168 EV:0100348 FMA:58301 GAID:755 MA:0000276 MAT:0000142 MBA:304325711 MESH:D012160 MIAA:0000142 NIFSTD_RETIRED:birnlex_1156 OpenCyc:Mx4rvViTfpwpEbGdrcN5Y29ycA TAO:0000152 UMLS:C0035298 UMLS:C1278894 VHOG:0000229 XAO:0000009 ZFA:0000152 inner layer of eyeball retina of camera-type eye tunica interna of eyeball uberon Netzhaut retinas UBERON:0000966 Currently this class encompasses only verteberate AOs but could in theory also include cephalopod - we may want to make a more specific class for vertebrate retina. note that this class excludes ommatidial retinas, as the retina must be part of an eyeball. Use the parent class photoreceptor array / light-sensitive tissue for arthropods retina UBERON:0000966 An organ that detects light. This class encompasses a variety of light-detecting structures from different phyla with no implication of homology, from the compound insect eye to the vertebrate camera-type eye (distinct classes are provided for each) ocular optic Note that whilst this is classified as an organ, it is in fact more of a unit composed of different structures: in Drosophila, it includes the interommatidial bristle as a part; we consider here the vertebrate eye to include the eyeball/eye proper as a part, with the eye having as parts (when present): eyelids, conjuctiva, BILA:0000017 BTO:0000439 CALOHA:TS-0309 EFO:0000827 EV:0100336 FBbt:00005162 GAID:69 MAT:0000140 MESH:D005123 MIAA:0000140 OpenCyc:Mx4rvViTvpwpEbGdrcN5Y29ycA uberon light-detecting organ visual apparatus UBERON:0000970 eye UBERON:0000970 Anatomical cluster that consists of two or more adjacent skeletal structures, which may be interconnected by various types of tissue[VSAO]. Anatomical cluster that consists of two or more adjacent bones or cartilages, which may be interconnected by various types of tissue.[VSAO] Anatomical cluster which consists of two or more adjacent bones or cartilages, which may be interconnected by various types of tissue.[TAO] articulation joint AEO:0000182 BTO:0001686 CALOHA:TS-2023 EFO:0000948 EMAPA:35456 FMA:7490 GAID:102 MA:0000319 MAT:0000188 MESH:D007596 MIAA:0000188 OpenCyc:Mx4rvVjjdpwpEbGdrcN5Y29ycA RETIRED_EHDAA2:0003182 TAO:0000367 UMLS:C0022417 VHOG:0001276 VSAO:0000101 XAO:0000171 ZFA:0001596 galen:Joint uberon articular joint joints UBERON:0000982 skeletal joint UBERON:0000982 Anatomical system that has as its parts the organs concerned with reproduction. consider splitting genitalia from reproductive system Anatomical system which consists of organs and tissues associated with sexual reproduction of the organism.[AAO] Arguably, one of the most important aspects of urbilaterian organogenesis would have been gonadogenesis, since Urbilateria must have successfully generated gametes and developed a strategy for extrusion and fertilization, in order to be the ancestor of all living Bilateria.[well established][VHOG] AAO:0010258 BILA:0000103 BTO:0000081 CALOHA:TS-1318 EFO:0000809 EHDAA2:0001603 EHDAA:5923 EMAPA:17381 EV:0100100 FBbt:00004857 FMA:7160 GAID:363 HAO:0000374 HAO:0000895 MA:0000326 MIAA:0000305 OpenCyc:Mx4rvVja4ZwpEbGdrcN5Y29ycA TAO:0000632 UMLS:C1261210 VHOG:0000182 WBbt:0005747 XAO:0000142 ZFA:0000632 uberon Geschlechtsorgan animal reproductive system genital system genital tract genitalia organa genitalia reproductive tissue reproductive tract systemata genitalia UBERON:0000990 reproductive system UBERON:0000990 Reproductive organ that produces and releases eggs (ovary) or sperm (testis). Anatomical structure which produces gametes as well as certain sex hormones controlled by the pituitary gonadotropins.[AAO] The part of the reproductive system that produces and releases eggs (ovary) or sperm (testis).[TAO] Examination of different vertebrate species shows that the adult gonad is remarkably similar in its morphology across different phylogenetic classes. Surprisingly, however, the cellular and molecular programs employed to create similar organs are not evolutionarily conserved.[uncertain][VHOG] gonadal FMA xref is a 'general anatomical term' AAO:0000213 BILA:0000123 BSA:0000079 BTO:0000534 EMAPA:16857 EMAPA:17383 FBbt:00004858 FMA:18250 GAID:368 HAO:0000379 MA:0002420 MESH:D006066 OpenCyc:Mx4rwQvdiZwpEbGdrcN5Y29ycA TAO:0000413 UMLS:C0018067 VHOG:0000397 WBbt:0005175 XAO:0003146 ZFA:0000413 gonada uberon gonads UBERON:0000991 gonad UBERON:0000991 the gonad of a female organism which contains germ cells Either of paired female reproductive organs involved in production of ova and female sex hormones.[AAO] Female reproductive organ.[TAO] (...) while it is likely that Urbilateria lacked a complex somatic reproductive system, it is at present impossible to speculate on whether or not it possessed a true gonad, let alone any other somatic adaptations for reproduction (reference 1); Examination of different vertebrate species shows that the adult gonad is remarkably similar in its morphology across different phylogenetic classes. Surprisingly, however, the cellular and molecular programs employed to create similar organs are not evolutionarily conserved (reference 2).[uncertain][VHOG] ovarian Ovaries of some kind are found in the female reproductive system of many animals that employ sexual reproduction, including invertebrates. However, they develop in a very different way in most invertebrates than they do in vertebrates, and are not truly homologous. Many of the features found in human ovaries are common to all vertebrates, including the presence of follicular cells, tunica albuginea, and so on. However, many species produce a far greater number of eggs during their lifetime than do humans, so that, in fish and amphibians, there may be hundreds, or even millions of fertile eggs present in the ovary at any given time. In these species, fresh eggs may be developing from the germinal epithelium throughout life. Corpora lutea are found only in mammals, and in some elasmobranch fish; in other species, the remnants of the follicle are quickly resorbed by the ovary. In birds, reptiles, and monotremes, the egg is relatively large, filling the follicle, and distorting the shape of the ovary at maturity. Amphibians and reptiles have no ovarian medulla; the central part of the ovary is a hollow, lymph-filled space. The ovary of teleosts is also often hollow, but in this case, the eggs are shed into the cavity, which opens into the oviduct. Although most normal female vertebrates have two ovaries, this is not the case in all species. In birds and platypuses, the right ovary never matures, so that only the left is functional. In some elasmobranchs, the reverse is true, with only the right ovary fully developing. In the primitive jawless fish, and some teleosts, there is only one ovary, formed by the fusion of the paired organs in the embryo AAO:0000371 BILA:0000125 BSA:0000080 BTO:0000975 CALOHA:TS-0730 EFO:0000973 EHDAA2:0001360 EHDAA:8124 EMAPA:17962 EV:0100111 FBbt:00004865 FMA:7209 GAID:367 MA:0000384 MESH:D010053 MIAA:0000125 OpenCyc:Mx4rvVi9QJwpEbGdrcN5Y29ycA TAO:0000403 UMLS:C0029939 VHOG:0000251 XAO:0000258 ZFA:0000403 female organism genitalia gonad female organism genitalia gonada female organism reproductive system gonad female organism reproductive system gonada female reproductive system gonad female reproductive system gonada genitalia of female organism gonad genitalia of female organism gonada gonad of female organism genitalia gonad of female organism reproductive system gonad of female reproductive system gonad of genitalia of female organism gonad of reproductive system of female organism gonada of female organism genitalia gonada of female organism reproductive system gonada of female reproductive system gonada of genitalia of female organism gonada of reproductive system of female organism ovary ovum-producing ovary reproductive system of female organism gonad reproductive system of female organism gonada uberon ovaries ovarium UBERON:0000992 female gonad UBERON:0000992 A tube or collection of tubes in an animal from the ovaries to the outside of the body. sometimes oviduct is used interchangeably with follaopian tube. Here they are different - the oviduct connects the gonad to the outside in a variety of animals. The mammal-class fallopian tube is derived from the mullerian duct and connects the gonads/infubdibulum to the uterus A passage through which ova leave the maternal body or pass to an organ communicating with the exterior of the body. [TFD][VHOG] In all remaining vertebrates (i.e., coelacanths, lungfishes, amphibians, reptiles, birds, and mammals), the oviduct arises in ontogeny as a longitudinal, groovelike invagination of the coelomic epithelium on the lateral surface of the mesonephros.[well established][VHOG] The only female vertebrates to lack oviducts are the jawless fishes. In these species, the single fused ovary releases eggs directly into the body cavity. The fish eventually extrudes the eggs through small genital pores towards the rear of the body[WP] in birds divided into infundibulum, magnum, isthmus, uterus, and vagina AAO:0010533 BSA:0000083 BTO:0000980 EFO:0000974 EMAPA:18984 GAID:366 MAT:0000126 MESH:D010057 MIAA:0000126 TAO:0000560 UMLS:C0029954 VHOG:0001136 XAO:0003052 ZFA:0000560 ovarian duct ovarian tube uterine tube uberon female reproductive tracts oviducts tuba uterina tuba uterinae tubular parts of female reproductive system UBERON:0000993 oviduct UBERON:0000993 the female muscular organ of gestation in which the developing embryo or fetus is nourished until birth The hollow muscular organ in female mammals in which the blastocyst normally becomes embedded and in which the developing embryo and fetus is nourished. Its cavity opens into the vagina below and into a uterine tube on either side. [TFD][VHOG] An infundibulum, uterine tube, uterus, and vagina also differentiate along the oviducts of eutherian mammals.[well established][VHOG] uterine Most animals that lay eggs, such as birds and reptiles, have an oviduct instead of a uterus. In monotremes, mammals which lay eggs and include the platypus, either the term uterus or oviduct is used to describe the same organ, but the egg does not develop a placenta within the mother and thus does not receive further nourishment after formation and fertilization. Marsupials have two uteruses, each of which connect to a lateral vagina and which both use a third, middle 'vagina' which functions as the birth canal. Marsupial embryos form a choriovitelline 'placenta' (which can be thought of as something between a monotreme egg and a 'true' placenta), in which the egg's yolk sac supplies a large part of the embryo's nutrition but also attaches to the uterine wall and takes nutrients from the mother's bloodstream. Two uteruses usually form initially in a female fetus, and in placental mammals they may partially or completely fuse into a single uterus depending on the species. In many species with two uteruses, only one is functional. Humans and other higher primates such as chimpanzees, along with horses, usually have a single completely fused uterus, although in some individuals the uteruses may not have completely fused [Wikipedia:Uterus] BTO:0001424 CALOHA:TS-1102 EFO:0000975 EMAPA:29915 EV:0100113 FMA:17558 GAID:172 MA:0000389 MAT:0000127 MESH:D014599 MIAA:0000127 OpenCyc:Mx4rvViojJwpEbGdrcN5Y29ycA UMLS:C0042149 VHOG:0001137 galen:Uterus uberon UBERON:0000995 uterus UBERON:0000995 The outer epithelial layer of the skin that is superficial to the dermis. A cellular, multilayered epithelium derived from the ectoderm. Zebrafish epidermis consists only of living cells unlike terrestrial vertebrates in which dead, keratinized cells are present. Le Guellec et al, 2004.[TAO] The outer epithelial layer of the external integument of the body that is derived from the embryonic epiblast.[AAO] relationship loss: subclass external integument structures (AAO:0000961)[AAO] (...) outer epithelia in all metazoan animals are homologous. (...) The ancestor of all metazoans likely had an epidermis with a basal extracellular matrix (ECM), an apical extracellular glycocalyx, and one cilium with a striated rootlet per cell.[well established][VHOG] epidermal Zebrafish epidermis consists only of living cells unlike terrestrial vertebrates in which dead, keratinized cells are present. In terrestrial vertebrates the epidermis often forms an outer keratinized or cornified layer, the stratum corneum. Interaction between the epideris and dermis gives rise to feathers (birds), hair and mammary glands (mammals), teeth and scales (placoid: chondrichthyans; cosmoids, ganoid, cycloid in bony fishes). epidermis skin AAO:0000143 BTO:0000404 CALOHA:TS-0283 EFO:0000954 EMAPA:17528 EV:0100153 FMA:70596 GAID:932 MA:0000153 MAT:0000154 MESH:D004817 MIAA:0000154 TAO:0000105 UMLS:C0014520 VHOG:0000077 XAO:0000028 ZFA:0000105 vertebrate epidermis uberon UBERON:0001003 skin epidermis UBERON:0001003 Functional system which consists of structures involved in respiration. The anatomical system in which the exchange of oxygen and carbon dioxide between the organism and its environment.[AAO] There is no doubt that the primitive pattern of vertebrate air-breathing is the buccal pulse pump found in actinopterygian fishes.[well established][VHOG] AAO:0000541 BTO:0000203 CALOHA:TS-1319 EFO:0000804 EHDAA2:0001604 EHDAA:2203 EMAPA:16727 EV:0100036 FMA:7158 GAID:78 MA:0000327 MAT:0000030 MESH:D012137 MIAA:0000030 OpenCyc:Mx4rvVjzFJwpEbGdrcN5Y29ycA TAO:0000272 UMLS:C0035237 VHOG:0000202 XAO:0000117 ZFA:0000272 apparatus respiratorius respiratory system uberon Atmungssystem apparatus respiratorius systema respiratorium UBERON:0001004 respiratory system UBERON:0001004 Anatomical system that has as its parts the organs devoted to the ingestion, digestion, and assimilation of food and the discharge of residual wastes. An anatomical system consisting of the alimentary canal and digestive glands responsible for intake, absorption, digestion and excretion of food.[AAO] digestive many anatomy ontologies consider gastrointestinal system synonymous with digestive system. here we follow MA in dividing digestive system into gastrointestinal and hepatobiliary. hepatobiliary includes the liver and biliary tract. species-specific AO classes are categorized according to whether liver is included. For example, XAO includes liver as part of XAO:0000125 alimentary system, so we assume this class is the more generic class AAO:0000129 BILA:0000082 BTO:0000058 CALOHA:TS-1293 EFO:0000793 EV:0100056 FBbt:00005055 FMA:7152 GAID:278 MA:0002431 MAT:0000018 MESH:D004064 MIAA:0000018 TADS:0000170 TAO:0000339 WBbt:0005748 XAO:0000125 ZFA:0000339 galen:DigestiveSystem ncithesaurus:Digestive_System uberon alimentary system alimentary tract gastrointestinal system gut UBERON:0001007 digestive system UBERON:0001007 The renal system in an anatomical system that maintains fluid balance and contributes to electrolyte balance, acid/base balance, and disposal of nitrogenous waste products.. In various sources such as Encyclopedia Britannica, the excretory and urinary systems are indeed the same system (see wikipedia talk page); we merge two BTO classes here An anatomical system which consists of organs and tissues which produce, store, and excrete urine.[AAO] Evolution of vertebrate renal anatomy appears quite conservative when compared, for example, to evolution of respiratory and cardiovascular systems in vertebrates. Major anatomical changes in vertebrates kidneys separate those of birds and mammals from kidneys of lower vertebrates. General increase in animal size from fish to mammals is reflected by an increase in total number of nephrons per kidney, rather than by constant change in tubular dimensions.[well established][VHOG] In humans, the renal system comprises a pair of kidneys, a pair of ureters, urinary bladder, urethra, sphincter muscle and associated blood vessels This definition is inclusive of the organs of the vertebrate renal system, as well as the Malpighian tubules of insects, and allows for future incorporation of structures such as the antennal glands of crustaceans AAO:0010257 BILA:0000015 BTO:0001244 BTO:0003092 CALOHA:TS-1323 EFO:0000803 EHDAA2:0001601 EHDAA:5901 EMAPA:17366 EV:0100095 FBbt:00005056 FMA:7159 GAID:391 MA:0000325 MAT:0000027 MESH:D014551 MIAA:0000027 TADS:0000162 TAO:0000163 UMLS:C1508753 VHOG:0000723 WBbt:0005736 XAO:0000143 ZFA:0000163 galen:UrinaryTract excretory system renal system systema urinaria systema urinarium urinary system urinary tract uberon renal or urinary system renal/urinary system UBERON:0001008 renal system UBERON:0001008 organ system that passes nutrients (such as amino acids and electrolytes), gases, hormones, blood cells, etc. to and from cells in the body to help fight diseases and help stabilize body temperature and pH to maintain homeostasis[WP]. the cardiovascular system and the lymphatic system are parts of the circulatory system Anatomical system of ion binding, a pumping mechanism, and an efficient vascular system; consisting of the blood, heart, and blood and lymph vessels, respectively.[AAO] We should divest ourselves of the view that earlier vertebrate groups were 'on their way' to becoming mammals, as clearly they were not such visionaries. Neither were their systems 'imperfect' as earlier anatomists thought. Instead, their circulatory systems served them well to address the ecological demands arising from their lifestyles.[well established][VHOG] AAO:0000959 CALOHA:TS-2103 FBbt:00005057 OpenCyc:Mx4rvVjzG5wpEbGdrcN5Y29ycA VHOG:0001248 uberon systema cardiovasculare UBERON:0001009 circulatory system UBERON:0001009 Portion of connective tissue composed of adipocytes enmeshed in areolar tissue Connective tissue in which fat is stored.[TAO] Tissue that contains adipocytes, used for cushioning, thermal insulation, lubrication (primarily in the pericardium) and energy storage.[AAO] relationship loss: subclass connective tissue proper (AAO:0000099)[AAO] Adipose tissue is unique to vertebrates. It is found in mostmammals, birds, reptiles and amphibians, and a variety is found in some species of fish. Furthermore, in insects the fat body found in larvae as well as in adults shares some homology with adipose tissue.[well established][VHOG] adipose In humans, adipose tissue is located beneath the skin (subcutaneous fat), around internal organs (visceral fat), in bone marrow (yellow bone marrow) and in breast tissue. Adipose tissue is found in specific locations, which are referred to as adipose depots. Adipose tissue contains several cell types, with the highest percentage of cells being adipocytes, which contain fat droplets. Other cell types include fibroblasts, macrophages, and endothelial cells. Adipose tissue contains many small blood vessels.; Mice have eight major adipose depots, four of which are within the abdominal cavity. The paired gonadal depots are attached to the uterus and ovaries in females and the epididymis and testes in males; the paired retroperitoneal depots are found along the dorsal wall of the abdomen, surrounding the kidney, and, when massive, extend into the pelvis. The mesenteric depot forms a glue-like web that supports the intestines, and the omental depot, which originates near the stomach and spleen, and, when massive, extends into the ventral abdomen. in FMA this is dense irregular connective tissue AAO:0000001 AEO:000020 BTO:0001487 CALOHA:TS-0013 EFO:0000790 EHDAA2:0003120 EMAPA:35112 EV:0100381 FMA:20110 GAID:920 MA:0000009 MAT:0000015 MESH:D000273 MIAA:0000015 OpenCyc:Mx4rvVjc_ZwpEbGdrcN5Y29ycA TAO:0002134 UMLS:C0001527 VHOG:0001284 XAO:0003049 ZFA:0005345 galen:FattyTissue fat fat tissue fatty tissue uberon adipose bodyfat fatty depot UBERON:0001013 adipose tissue UBERON:0001013 A subdivision of the muscular system corresponding to a subdisivision of an organism. In FMA this is classified as a set of organs. ZFA musculature system has subtypes, so it is classified here. WBbt muscular system has subtypes so it goes here. Note that we use the MA term set of skeletal muscles here as it seems most appropriate (*not* MA:musculature). AAO is generally confused here. AAO:0011066 BTO:0000887 EFO:0001949 EMAPA:32715 EMAPA:35577 FMA:32558 MA:0000165 OpenCyc:Mx4rvVjmr5wpEbGdrcN5Y29ycA TAO:0000548 UMLS:C0026845 VSAO:0005038 WBbt:0005737 ZFA:0000548 muscle group muscles set musculature musculi set of muscles set of skeletal muscles uberon muscle system muscles musculature system UBERON:0001015 musculature UBERON:0001015 The nervous system is an organ system containing predominantly neuron and glial cells. In bilaterally symmetrical organism, it is arranged in a network of tree-like structures connected to a central body. The main functions of the nervous system are to regulate and control body functions, and to receive sensory input, process this information, and generate behavior [CUMBO]. A regulatory system of the body that consists of neurons and neuroglial cells. The nervous system is divided into two parts, the central nervous system (CNS) and the peripheral nervous system (PNS). (Source: BioGlossary, www.Biology-Text.com)[TAO] Anatomical system consisting of nerve bodies and nerve fibers which regulate the response of the body to external and internal stimuli.[AAO] Nervous systems evolved in the ancestor of Eumetazoa.[well established][VHOG] nervous neural AAO:0000324 BILA:0000079 BTO:0001484 CALOHA:TS-1313 EFO:0000802 EHDAA2:0001246 EHDAA:826 EMAPA:16469 EV:0100162 FBbt:00005093 FMA:7157 GAID:466 MA:0000016 MAT:0000026 MESH:D009420 MIAA:0000026 OpenCyc:Mx4rvViT_pwpEbGdrcN5Y29ycA TAO:0000396 UMLS:C0027763 VHOG:0000402 WBbt:0005735 XAO:0000177 ZFA:0000396 neurological system nerve net uberon systema nervosum UBERON:0001016 nervous system UBERON:0001016 The central nervous system is the core nervous system that serves an integrating and coordinating function. In vertebrates it consists of the neural tube derivatives: the brain and spinal cord. In invertebrates it includes central ganglia plus nerve cord. Part of the nervous system which includes the brain and spinal cord.[AAO] The brain and spinal cord. Kimmel et al, 1995.[TAO] The central nervous system (CNS) is the part of the nervous system which includes the brain, spinal cord, and nerve cell layer of the retina (CUMBO). (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...) (reference 1); The neural tube is destined to differentiate into the brain and spinal cord (the central nervous system) (reference 2); Taken together, our data make a very strong case that the complex molecular mediolateral architecture of the developing trunk CNS (central nervous system), as shared between Platynereis and vertebrates, was already present in their last common ancestor, Urbilateria. The concept of bilaterian nervous system centralization implies that neuron types concentrate on one side of the trunk, as is the case in vertebrates and many invertebrates including Platynereis, where they segregate and become spatially organized (as opposed to a diffuse nerve net). Our data reveal that a large part of the spatial organization of the annelid and vertebrate CNS was already present in their last common ancestor, which implies that Urbilateria had already possessed a CNS (reference 3).[well established][VHOG] AAO:0000090 BAMS:CNS BILA:0000080 BTO:0000227 CALOHA:TS-0150 EFO:0000908 EHDAA2:0000225 EHDAA:828 EMAPA:16470 EMAPA:16754 EV:0100163 FBbt:00005094 FMA:55675 GAID:570 MA:0000167 MAT:0000457 MESH:D002490 OpenCyc:Mx4rvzYt3pwpEbGdrcN5Y29ycA TAO:0000012 UMLS:C0927232 VHOG:0000293 XAO:0000215 ZFA:0000012 CNS systema nervosum centrale cerebrospinal axis uberon neuraxis UBERON:0001017 central nervous system UBERON:0001017 An enclosed, cable-like bundle of axons in the peripheral nervous system originating in a nerve root in the central nervous system (or a condensed nervous structure) connecting with peripheral structures. A portion of tissue which is a fasiculated group of axons.[TAO] nervous AAO:0011070 AEO:0000137 BAMS:n BSA:0000098 BTO:0000925 BTO:0001027 CALOHA:TS-0772 EHDAA2:0003137 EHDAA:2851 EHDAA:3776 EHDAA:4657 EMAPA:32808 EMAPA:32815 EV:0100371 FBbt:00005105 FMA:65132 FMA:65239 GAID:747 GAID:758 MA:0000217 MA:0000228 MESH:D010525 OpenCyc:Mx4rwP3lkpwpEbGdrcN5Y29ycA TAO:0007009 UMLS:C0027740 UMLS:C0031119 VHOG:0000901 XAO:0000204 XAO:0003047 ZFA:0007009 galen:Nerve nerves peripheral nerve uberon neural subtree UBERON:0001021 nerve UBERON:0001021 Anatomical system that overlaps the nervous system and is responsible for receiving and processing sensory information. An early step in the evolution of neural crest, therefore, may have been the origin of a specific dorsal neural cell population contributing to sensory processing; this would predate the divergence of the amphioxus and vertebrate lineages.[well established][VHOG] note the distinct between entire sensory system and individual system. this reconciles is_a and part_of distinctions between ssAOs AAO:0000555 BAMS:SEN BILA:0000099 EFO:0000805 EHDAA2:0003094 EMAPA:16192 FBbt:00005827 FMA:75259 MA:0002442 MAT:0000031 MIAA:0000031 TAO:0000282 VHOG:0001674 XAO:0003194 ZFA:0000282 organa sensuum sense organ subsystem sense organs sense organs set sensory subsystem sensory systems uberon organa sensuum sensory organ system set of sense organs UBERON:0001032 sensory system UBERON:0001032 The sensory system for the sense of taste. The sensory system for the sense of taste[NIFSTD:nlx_anat_090803]. The sensory system used for the sense of taste.[AAO] gustatory in ZFA and MA this is a subtype of sensory system. we should change sensory system to disambiguate parts and wholes AAO:0010577 BILA:0000143 EFO:0000830 FMA:7194 MA:0002446 MAT:0000275 MIAA:0000275 TAO:0001101 XAO:0003197 ZFA:0001101 gustatory organ system taste system uberon UBERON:0001033 gustatory system UBERON:0001033 Anterior subdivision of a digestive tract. Note we define this generically to include invertebrates (partly for consistency with GO), but the class may be split in future. In vertebrates the term may refer to a developmental structure The anterior portion of the primitive digestive tube of the embryo that lies cephalic to the junction of the yolk stalk, consists of endodermal tissue, and gives rise to the the pharynx, lower respiratory system, esophagus, stomach, duodenum proximal to the biliary tract, liver, pancreas, biliary tract, and gall bladder. The bilaterian gut is typically a complete tube that opens to the exterior at both ends. It consists of mouth, foregut, midgut, hindgut, and anus (reference 1); Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut (reference 2).[well established][VHOG] AAO:0011042 BILA:0000085 BTO:0000507 EHDAA2:0000557 EHDAA:520 EMAPA:16548 FBbt:00005379 FMA:45616 MA:0001526 TGMA:0001014 UMLS:C0231051 VHOG:0000285 XAO:0000232 uberon praeenteron proenteron UBERON:0001041 foregut UBERON:0001041 Middle subdivision of a digestive tract[CJM]. In vertebrates: The middle part of the alimentary canal from the stomach, or entrance of the bile duct, to, or including, the large intestine[GO]. Note we define this generically to include invertebrates (partly for consistency with GO), but the class may be split in future. We may explicitly make this a developmental class The bilaterian gut is typically a complete tube that opens to the exterior at both ends. It consists of mouth, foregut, midgut, hindgut, and anus (reference 1); Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut (reference 2).[well established][VHOG] In humans: originates from the foregut at the opening of the bile duct into the duodenum and continues through the small intestine and much of the large intestine until the transition to the hindgut about two-thirds of the way through the transverse colon in FMA this represents an embryonic region. BILA:0000086 BTO:0000863 EFO:0001950 EHDAA2:0001185 EHDAA:983 EMAPA:16255 FBbt:00005383 FMA:45617 MA:0001564 TGMA:0001036 UMLS:C0231052 VHOG:0000290 XAO:0000103 uberon mesenteron UBERON:0001045 midgut UBERON:0001045 The caudalmost subdivision of a digestive tract. Note we define this generically to include invertebrates (partly for consistency with GO), but the class may be split in future (vertebrates have some contribution from NC - https://github.com/obophenotype/uberon/wiki/The-neural-crest). We may explicitly make this a developmental class the caudal portion of the primitive digestive tube of the embryo The bilaterian gut is typically a complete tube that opens to the exterior at both ends. It consists of mouth, foregut, midgut, hindgut, and anus (reference 1); Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut (reference 2).[well established][VHOG] in FMA this class has no children. In MA it has a single child hindgut epithelium AAO:0011052 BILA:0000087 BTO:0000510 EHDAA2:0000779 EHDAA:975 EMAPA:16715 FBbt:00005384 FMA:45618 MA:0001527 TGMA:0001020 UMLS:C0231053 VHOG:0000459 XAO:0000104 uberon metenteron UBERON:0001046 hindgut UBERON:0001046 Primordia are populations of contiguous cells that are morphologically distinct and already correspond in extent to a later organ/tissue[FBbt, Hartenstein, V. (2004)]. AEO:0000171 BTO:0001886 EFO:0001652 EHDAA2:0003171 FBbt:00005495 FMA:86589 MAT:0000482 UMLS:C0678727 XAO:0003043 uberon bud future organ placode primordia rudiment UBERON:0001048 primordium UBERON:0001048 In the developing vertebrate, the neural tube is the embryo's precursor to the central nervous system, which comprises the brain and spinal cord. The neural groove gradually deepens as the neural folds become elevated, and ultimately the folds meet and coalesce in the middle line and convert the groove into a closed tube, the neural tube or neural canal (which strictly speaking is the center of the neural tube), the ectodermal wall of which forms the rudiment of the nervous system. [WP,unvetted]. Hollow epithelial tube on dorsal side of the embryo that develops into the central nervous system.[AAO] The dorsal tubular structure in the vertebrate embryo that develops into the brain and spinal cord. [TFD][VHOG] (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] The mature structure of the neural tube exists when the tube has been segmented into the forebrain, midbrain, hindbrain and spinal cord regions. In addition neural crest has budded away from the epithelium AAO:0010617 BTO:0001057 CALOHA:TS-2371 DHBA:10154 EHDAA2:0001254 EHDAA:2869 EHDAA:908 EMAPA:16164 EMAPA:16530 EMAPA:16757 FMA:293882 MAT:0000069 MIAA:0000069 TAO:0001135 UMLS:C0231024 VHOG:0000307 XAO:0003204 ZFA:0001135 uberon neural primordium presumptive central nervous system tubus neuralis UBERON:0001049 neural tube UBERON:0001049 Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species. AAO:0010841 AEO:0000000 BILA:0000000 CARO:0000000 EHDAA2:0002229 FBbt:10000000 FBbt_root:00000000 FMA:62955 HAO:0000000 MA:0000001 TAO:0100000 TGMA:0001822 UMLS:C1515976 XAO:0000000 ZFA:0100000 uberon UBERON:0001062 anatomical entity UBERON:0001062 A duct joining the pancreas to the common bile duct to supply pancreatic juices which aid in digestion provided by the exocrine pancreas. The pancreatic duct joins the common bile duct just prior to the ampulla of Vater, after which both ducts perforate the medial side of the second portion of the duodenum at the major duodenal papilla. in EHDAA2 this is an epithelium, in FMA the wall consists of epithelium and connective tissue These data show that ducts within the zebrafish pancreas originally arise in situ from isolated progenitor cells rather than arising from reiterative branching of the pancreatic epithelium. This process of pancreatic duct formation in zebrafish may be analogous to the mechanism of duct formation in the mammalian mammary and salivary glands. (...) A related mechanism of duct formation has also been proposed to occur within the mammalian pancreatic epithelium.[uncertain][VHOG] Upon reaching its final destination, the ventral pancreatic bud fuses with the much larger dorsal pancreatic bud. At this point of fusion, the main ducts of the ventral and dorsal pancreatic buds fuse, forming the duct of Wirsung, the main pancreatic duct. UBERON:0005627 pancreatic duct BTO:0002362 EHDAA2:0001396 EHDAA:6905 EMAPA:17510 FMA:16003 GAID:337 MA:0000126 MESH:D010183 RETIRED_EHDAA2:0002177 UMLS:C0030288 VHOG:0000256 chief pancreatic duct duct of Wirsung main pancreatic duct uberon canal of Wirsung ductus pancreatis ventralis hepaticopancreatic duct UBERON:0001064 ventral pancreatic duct UBERON:0001064 Excretion that is the output of a kidney kidney excreta from some taxa (e.g. in aves) may not be liquid BTO:0001419 CALOHA:TS-1092 EFO:0001939 EMAPA:36554 ENVO:00002047 FMA:12274 GAID:1189 MA:0002545 MAT:0000058 MESH:D014556 MIAA:0000058 OpenCyc:Mx4rvVjGppwpEbGdrcN5Y29ycA UMLS:C0042036 galen:Urine uberon UBERON:0001088 urine UBERON:0001088 Transudate contained in the synovial cavity of joints, and in the cavity of tendon sheaths and bursae. Portion of organism substance that is a clear fluid that occupies the space in synovial joints.[TAO] BTO:0001339 CALOHA:TS-0996 ENVO:02000039 FMA:12277 GAID:265 MA:0002544 MESH:D013582 TAO:0005154 UMLS:C0039097 ZFA:0005154 galen:SynovialFluid joint fluid uberon UBERON:0001090 synovial fluid UBERON:0001090 Traditional gross anatomy divided the liver into four lobes based on surface features. The falciform ligament is visible on the front (anterior side) of the liver. This divides the liver into a left anatomical lobe, and a right anatomical lobe. some work needs to be done to ensure the child terms of this class have correct isa/partof placement. in MA they are subclasses, in FMA they are parts EMAPA:18306 FMA:13361 MA:0000360 UMLS:C0447541 hepatic lobe liver lobe lobus hepatis uberon UBERON:0001113 lobe of liver UBERON:0001113 The right lobe is much larger than the left; the proportion between them being as six to one. It occupies the right hypochondrium, and is separated from the left lobe on its upper surface by the falciform ligament; on its under and posterior surfaces by the left sagittal fossa; and in front by the umbilical notch. It is of a somewhat quadrilateral form, its under and posterior surfaces being marked by three fossæ: the porta and the fossæ for the gall-bladder and inferior vena cava, which separate its left part into two smaller lobes; the quadrate and caudate lobes. [WP,unvetted]. This class was created automatically from a combination of ontologies Portion of the liver which develops on the fish's right side adjacent to the gall bladder.[TAO] EHDAA2:0001008 EHDAA:4001 EMAPA:18311 FMA:13362 MA:0000363 TAO:0005173 UMLS:C0227481 VHOG:0001424 ZFA:0005173 liver right lobe lobus hepaticus dexter right liver lobe uberon 2nd lobe gall bladder lobe lobus hepatis dexter right hepatic lobe second lobe UBERON:0001114 right lobe of liver UBERON:0001114 The left lobe is smaller and more flattened than the right. It is situated in the epigastric and left hypochondriac regions. Its upper surface is slightly convex and is moulded on to the diaphragm; its under surface presents the gastric impression and omental tuberosity. [WP,unvetted]. This class was created automatically from a combination of ontologies Portion of the liver which develops on the fish's left side.[TAO] EHDAA2:0001000 EHDAA:3995 EMAPA:18307 FMA:13363 MA:0000361 TAO:0005172 UMLS:C0227486 VHOG:0001423 ZFA:0005172 left liver lobe liver left lobe lobus hepaticus sinister uberon left hepatic lobe lobus hepatis sinister UBERON:0001115 left lobe of liver UBERON:0001115 Muscle tissue that consists primarily of skeletal muscle fibers. TODO - add skeletal muscle organ? See GO:0060538 skeletal muscle organ development. Todo - group FBbt:00005073 - somatic muscle. Muscle, composed of long cylindrical, multinucleated cells that attaches to the skeleton via tendons.[TAO] Tissue which consists of skeletal muscle fibers surrounded by endomysium. Examples: Skeletal muscle tissue of biceps, Skeletal muscle tissue of diaphragm[FMA] This result implies the following views in terms of evolutionary differentiation: (1) Arthropod striated muscle and vertebrate skeletal and cardiac muscles share a common ancestor. In other words, they did not evolve independently (...) (5) The divergence of vertebrate skeletal and cardiac muscles/vertebrate smooth muscle and nonmuscle is at least before that of vertebrates/arthropods. In other words, emergence of skeletal and cardiac musle type tissues preceded the vertebrate/arthropod divergence (ca. 700 MYA).[well established][VHOG] skeletal muscle EMAPA:32716 FMA:14069 MA:0002439 UMLS:C0242692 uberon skeletal muscle system somatic muscle UBERON:0001134 skeletal muscle tissue UBERON:0001134 Muscle tissue which is unstriated, composed primarily of smooth muscle fibers surrounded by a reticulum of collagen and elastic fibers. Smooth muscle differs from striated muscle in the much higher actin/myosin ratio, the absence of conspicuous sarcomeres and the ability to contract to a much smaller fraction of its resting length[GO]. A non-striated muscle that is composed of spindle-shaped cells. Smooth muscle usually is organized into sheets that line cavitated organs.[TAO] Involuntary muscle tissue consisting of uninucleate spindle-shaped fibers.[AAO] (...) the first bilateral animals possessed only smooth muscles with the molecular repertoire necessary to build a striated muscle. (...) it is more parsimonious to regard striated muscle cells as a sister cell type to the smooth muscle cells. In this scenario, striated and smooth muscles would have arisen in the stem lineage that led to the Nephrozoa (i.e. all Bilateria exclusive the acoelomorphs) (Hejnol et al., 2009), from an 'acoel-like' smooth muscle, by segregation and divergence of functions and through differential recruitment of additional genes[well established][VHOG] GO uses visceral and smooth interchangeably. However visceral can also be used in the sense of the viscera. Many fly annotations to smooth muscle terms. If we want to be inclusive of insects have to have a general definition of tissue that includes cells. AAO:0010244 AEO:0000141 BTO:0001260 CALOHA:TS-0943 EFO:0000889 EHDAA2:0003141 EMAPA:32717 EV:0100378 FBbt:00003525 FMA:14070 GAID:167 MA:0000166 MAT:0000303 MESH:D009130 MIAA:0000303 OpenCyc:Mx4rvvSS3pwpEbGdrcN5Y29ycA TAO:0005274 UMLS:C1267092 VHOG:0001246 WBbt:0005781 XAO:0000175 ZFA:0005274 galen:SmoothMuscle galen:SmoothMuscleTissue involuntary muscle non-striated muscle smooth muscle textus muscularis nonstriatus visceral muscle visceral muscle tissue uberon textus muscularis levis; textus muscularis nonstriatus UBERON:0001135 smooth muscle tissue UBERON:0001135 Simple squamous epithelium of mesodermal origin which lines serous membranes. Examples: mesothelium of pleura, mesothelium of peritoneum[FMA]. http://en.wikipedia.org/wiki/ The mesothelium is a membrane that forms the lining of several body cavities: the pleura (thoracal cavity), peritoneum (abdominal cavity including the mesentery) and pericardium (heart sac). Mesothelial tissue also surrounds the male internal reproductive organs (the tunica vaginalis testis) and covers the internal reproductive organs of women (the tunica serosa uteri). AEO:0000111 BTO:0002422 CALOHA:TS-1183 EHDAA2_RETIRED:0003111 EHDAA:2331 EHDAA:2349 EHDAA:295 EHDAA:6073 EHDAA:640 EHDAA:646 EMAPA:32856 FMA:14074 MA:0000565 UMLS:C0086610 uberon UBERON:0001136 mesothelium UBERON:0001136 A major subdivision of an organism that is the entire part of the organism dorsal to a horizontal plane and bounded on one side by the same transverse plane. In vertebrares this includes the vertebral column.. dorsal In humans, called the back, a large posterior area of the human body, rising from the top of the buttocks to the back of the neck and the shoulders. It is the surface opposite to the chest, its height being defined by the vertebral column (commonly referred to as the spine or backbone) and its breadth being supported by the ribcage and shoulders. The spinal canal runs through the spine and provides nerves to the rest of the body BTO:0001713 CALOHA:TS-2223 EFO:0001405 FMA:14181 GAID:30 MESH:A01.176 OpenCyc:Mx4rvVkEU5wpEbGdrcN5Y29ycA UMLS:C0004600 galen:Back back back of body proper dorsal part of organism uberon UBERON:0001137 dorsum UBERON:0001137 the tubular structure that conducts gall bladder contents from the gall bladder to the common bile duct Duct that connects the gall bladder and the common bile duct.[TAO] The duct of the gallbladder which joins the common hepatic duct, thus forming the common biliary duct. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] EHDAA2:0000333 EHDAA:3045 EMAPA:16841 FMA:14539 GAID:290 MA:0000355 MESH:A03.159.183.419 OpenCyc:Mx4rveBeC5wpEbGdrcN5Y29ycA TAO:0005166 UMLS:C0010672 VHOG:0000213 ZFA:0005166 galen:CysticDuct uberon ductus cysticus UBERON:0001152 cystic duct UBERON:0001152 The body of stomach is the part of the stomach that lies between the fundus above and the pyloric antrum below; its boundaries are poorly defined[GO]. we include this as zone of stomach even though it is not distinguished by gland type BTO:0000505 EMAPA:35810 FMA:14560 MA:0002559 UMLS:C0227230 galen:GastricCorpus corpus gastricum (ventriculare) gastric body stomach body uberon corpus gastricum corpus ventriculare corpus ventriculi gastric corpus UBERON:0001161 body of stomach UBERON:0001161 the area at the bottom of the stomach on the caudal side of the pyloric canal that contains gastrin-producing G cells, which stimulate acid production, and the luminal pH-sensitive population of somatostatin-producing D cells antrum BTO:0001732 EFO:0002555 EMAPA:17891 FMA:14579 GAID:332 MA:0001624 MESH:A03.492.766.716 UMLS:C0034193 galen:PyloricAntrum antrum of stomach stomach pyloric antrum uberon antrum of Willis antrum pylori antrum pyloricum gastric antrum stomach antrum UBERON:0001165 pyloric antrum UBERON:0001165 the stomach tissue region surrounding and controlling the distal outlet of the stomach, which opens into the duodenum We follow Kardong in defining stomach regions by glands The orifice which allows the passage from the stomach into the intestine. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut.[uncertain][VHOG] pyloric BTO:0001146 EHDAA2:0001580 EHDAA:4860 EMAPA:17631 FMA:14581 GAID:333 MA:0002560 MESH:A03.492.766.799 UMLS:C0034196 VHOG:0000420 galen:Pylorus pars pylorica pars pylorica gastricae pyloric part of stomach pyloric region stomach pyloric region uberon valvula pylori UBERON:0001166 pylorus UBERON:0001166 the layered structure that makes up the stomach, typiclly consists of a serous coat, a muscular coat, a mucous membrane, and other tissue layers in between EMAPA:35826 FMA:14582 MA:0002692 galen:WallOfStomach anatomical wall of stomach anatomical wall of ventriculus gastric wall stomach anatomical wall stomach wall ventriculus anatomical wall ventriculus wall wall of ventriculus uberon UBERON:0001167 wall of stomach UBERON:0001167 An anatomical wall that is part of a small intestine [Automatically generated definition]. EMAPA:35785 FMA:14615 MA:0002696 UMLS:C1519375 anatomical wall of small bowel anatomical wall of small intestine small bowel anatomical wall small bowel wall small intestinal wall small intestine anatomical wall small intestine wall wall of small bowel uberon UBERON:0001168 wall of small intestine UBERON:0001168 The triangular region on the periphery of the liver lobules that contain a bile duct and a terminal branch of the hepatic artery and portal vein, and may also include a lymphatic vessel. FMA:14653 MA:0002498 UMLS:C0682620 uberon UBERON:0001171 portal lobule UBERON:0001171 The functional unit of the liver, consisting of a mass of hepatocytes from adjacent liver lobules aligned around the hepatic arterioles and portal venules just as they anastomose into sinusoids. EMAPA:35497 FMA:14654 MA:0002496 UMLS:C0227519 liver acinus portal acinus uberon UBERON:0001172 hepatic acinus UBERON:0001172 A complex network of conduits that begins with the canals of Hering (intralobar bile duct) and progressively merges into a system of interlobular, septal, and major ducts which then coalesce to form the extrahepatic bile ducts, which finally deliver bile to the intestine, and in some species to the gallbladder. Hollow tree organ, the organ parts of which consist of the bile ducts.[AAO] AAO:0011020 EMAPA:35172 FMA:14665 UMLS:C0005423 XAO:0000455 uberon biliary tract UBERON:0001173 The path in many species is as follows: Bile canaliculi -> Canals of Hering (intralobar bile duct) -> interlobular bile ducts -> intrahepatic bile ducts -> left and right hepatic ducts merge to form -> common hepatic duct *exits liver* and joins -> cystic duct (from gall bladder) forming -> common bile duct -> joins with pancreatic duct -> forming ampulla of Vater -> enters duodenum [WP] biliary tree UBERON:0001173 the part of the biliary tree formed by the union of the cystic duct and the common hepatic duct Digestive system duct that collects bile from the hepatic bile duct and the cystic duct.[TAO] The duct formed by the union of the common hepatic and cystic ducts. [Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier, adapted_from_Dorian_AF][VHOG] EHDAA2:0000303 EHDAA:3981 EMAPA:17201 FMA:14667 GAID:282 MA:0001631 MESH:D003135 TAO:0005165 UMLS:C0009437 VHOG:0000214 ZFA:0005165 galen:CommonBileDuct ductus choledochus (biliaris) uberon ductus choledochus UBERON:0001174 common bile duct UBERON:0001174 Predominantly extrahepatic bile duct which is formed by the junction of the right and left hepatic ducts, which are predominantly intrahepatic, and, in turn, joins the cystic duct to form the common bile duct[GAID]. The common hepatic duct is the duct formed by the convergence of the right hepatic duct (which drains bile from the right functional lobe of the liver) and the left hepatic duct (which drains bile from the left functional lobe of the liver). The common hepatic duct then joins the cystic duct coming from the gallbladder to form the common bile duct[WP]. TODO - MA distinguishes between bile duct, hepatic duct, common bile duct and common hepatic duct. in FMA hepatic duct and common hepatic duct are the same. Common is part of extra-hepatic part The duct which conveys the bile from the liver and unites with the cystic duct to form the common bile duct. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] EMAPA:19101 FMA:14668 GAID:286 MA:0002660 MESH:D006500 UMLS:C0019149 VHOG:0000220 uberon ductus hepaticus communis hepatic duct UBERON:0001175 common hepatic duct UBERON:0001175 The duct that drains bile from the right half of the liver and joins the left hepatic duct to form the common hepatic duct. The duct which drains bile from the right half of the liver and unites with the left hepatic duct to form the common hepatic duct. [adapted_from_http://www.medterms.com/script/main/art.asp?articlekey=26032][VHOG] EHDAA2:0001727 EHDAA:3992 EMAPA:32797 FMA:14669 MA:0001639 UMLS:C0227557 VHOG:0000217 uberon ductus hepaticus dexter UBERON:0001176 right hepatic duct UBERON:0001176 The duct that drains bile from the left half of the liver and joins the right hepatic duct to form the common hepatic duct. The duct which drains bile from the left half of the liver and unites with the right hepatic duct to form the common hepatic duct. [adapted_from_http://www.medterms.com/script/main/art.asp?articlekey=26032][VHOG] EHDAA2:0000941 EHDAA:3990 EMAPA:32795 FMA:14670 MA:0001638 UMLS:C0227560 VHOG:0000218 uberon ductus hepaticus sinister UBERON:0001177 left hepatic duct UBERON:0001177 An artery that supplies the liver. currently defined in a generic fashion. Artery that supplies blood to the liver.[TAO] BTO:0004307 EMAPA:17859 FMA:14769 GAID:496 MA:0001963 MESH:D006499 OpenCyc:Mx4rvzKtFpwpEbGdrcN5Y29ycA TAO:0005161 UMLS:C0019145 ZFA:0005161 galen:HepaticArtery arteria hepatica propria uberon arteria hepatica UBERON:0001193 hepatic artery UBERON:0001193 The mucosal layer that lines the stomach. The gastric mucosa is the mucous membrane layer of the stomach which contains the glands and the gastric pits. In men it is about 1 mm thick and its surface is smooth, soft, and velvety. It consists of epithelium, lamina propria, and the muscularis mucosae. In its fresh state, it is of a pinkish tinge at the pyloric end and of a red or reddish-brown color over the rest of its surface. In infancy it is of a brighter hue, the vascular redness being more marked. It is thin at the cardiac extremity, but thicker toward the pylorus. During the contracted state of the organ it is thrown into numerous plaits or rugae, which, for the most part, have a longitudinal direction, and are most marked toward the pyloric end of the stomach, and along the greater curvature. These folds are entirely obliterated when the organ becomes distended. When examined with a lens, the inner surface of the mucous membrane presents a peculiar honeycomb appearance from being covered with funnel-like depressions or foveolae of a polygonal or hexagonal form, which vary from 0.12 to 0.25 mm. in diameter. These are the ducts of the gastric glands, and at the bottom of each may be seen one or more minute orifices, the openings of the gland tubes. Gastric glands are simple or branched tubular glands that emerge on the deeper part of the gastric foveola, inside the gastric areas and outlined by the folds of the mucosa. There are three types of glands: cardiac glands (in the proximal part of the stomach), oxyntic glands (the dominating type of gland), and pyloric glands. The cardiac glands mainly contain mucus producing cells. The bottom part of the oxyntic glands is dominated by zymogen (chief) cells that produce pepsinogen (an inactive precursor of the pepsin enzyme). Parietal cells, which secrete hydrochloric acid are scattered in the glands, with most of them in the middle part. The upper part of the glands consist of mucous neck cells; in this part the dividing cells are seen. The pyloric glands contain mucus-secreting cells. Several types of endocrine cells are found in all regions of the gastric mucosa. In the pyloric glands contain gastrin producing cells (G cells); this hormone stimulates acid production from the parietal cells. ECL (enterochromaffine-like) cells, found in the oxyntic glands release histamine, which also is a powerful stimulant of the acid secretion. The A cells produce glucagon, which mobilizes the hepatic glycogen, and the enterochromaffin cells that produce serotonin, which stimulates the contraction of the smooth muscles. The surface of the mucous membrane is covered by a single layer of columnar epithelium . This epithelium commences very abruptly at the cardiac orifice, where there is a sudden transition from the stratified epithelium of the esophagus. The epithelial lining of the gland ducts is of the same character and is continuous with the general lining of the stomach. [WP,unvetted][Wikipedia:Gastric_mucosa]. BTO:0001308 CALOHA:TS-0404 EMAPA:35817 FMA:14907 GAID:321 MA:0002683 MESH:A03.492.766.440 OpenCyc:Mx8NhB4rvcD6KJwpEbGdrcN5Y29ycB4rvmKNOpwpEbGdrcN5Y29ycB4rvVj5FpwpEbGdrcN5Y29ycB4rvVjlqpwpEbGdrcN5Y29ycA UMLS:C0017136 galen:GastricMucosa gastric mucosa gastric mucous membrane mucosa of organ of stomach mucosa of organ of ventriculus mucosa of ventriculus mucous membrane of stomach mucous membrane of ventriculus organ mucosa of stomach organ mucosa of ventriculus stomach mucosa stomach mucosa of organ stomach mucous membrane stomach organ mucosa tunica mucosa (gaster) tunica mucosa gastricae ventriculus mucosa ventriculus mucosa of organ ventriculus mucous membrane ventriculus organ mucosa uberon Magenschleimhaut tunica mucosa gastris UBERON:0001199 mucosa of stomach UBERON:0001199 A strong ring of smooth muscle at the end of the pyloric canal which lets food pass from the stomach to the duodenum. It receives sympathetic innervation from the celiac ganglion[WP]. (...) the adult Xenopus stomach exhibits both glandular and aglandular regions and a distinct pyloric sphincter similar to that of the amniotic vertebrates (...).[uncertain][VHOG] AAO:0011093 EMAPA:19251 FMA:14916 MA:0002952 OpenCyc:Mx4rvly2ZZwpEbGdrcN5Y29ycA UMLS:C0227238 VHOG:0001466 XAO:0000457 pyloric valve uberon UBERON:0001202 pyloric sphincter UBERON:0001202 A mucosa that is part of a small intestine [Automatically generated definition]. BTO:0001259 CALOHA:TS-0941 EMAPA:35780 FMA:14933 MA:0002686 UMLS:C0227261 mucosa of organ of small bowel mucosa of organ of small intestine mucosa of small bowel mucous membrane of small bowel mucous membrane of small intestine organ mucosa of small bowel organ mucosa of small intestine small bowel mucosa small bowel mucosa of organ small bowel mucous membrane small bowel organ mucosa small intestinal mucosa small intestine mucosa small intestine mucosa of organ small intestine mucous membrane small intestine organ mucosa tunica mucosa (intestinum tenue) tunica mucosa intestini tenuis uberon UBERON:0001204 mucosa of small intestine UBERON:0001204 A funnel shaped proximal portion of the ureter that is formed by convergence of the major calices [MP]. CALOHA:TS-2230 EMAPA:17948 FMA:15575 GAID:426 MA:0000374 MESH:D007682 UMLS:C0227666 galen:RenalPelvis kidney pelvis pelvis of ureter uberon p. renallis pyelum UBERON:0001224 In this ontology, the renal pelvis is represented as the area of part-overlap between the kidney and the ureter renal pelvis UBERON:0001224 The innermost membrane of the four coats of the intestinal wall, the other three being the submucosa, muscular layers, and serosa. (Berk et al., Gastroenterology, 4th ed, v.3, p1479) BTO:0000642 EMAPA:35440 FMA:15695 GAID:296 MA:0001537 MESH:A03.492.411.369 UMLS:C0021839 bowel mucosa bowel mucosa of organ bowel mucous membrane bowel organ mucosa intestine mucosa intestine mucosa of organ intestine mucous membrane intestine organ mucosa mucosa of bowel mucosa of intestine mucosa of organ of bowel mucosa of organ of intestine mucous membrane of bowel mucous membrane of intestine organ mucosa of bowel organ mucosa of intestine tunica mucosa intestini uberon UBERON:0001242 intestinal mucosa UBERON:0001242 Orifice at the opposite end of an animal's digestive tract from the mouth. Its function is to expel feces, unwanted semi-solid matter produced during digestion, which, depending on the type of animal, may be one or more of: matter which the animal cannot digest, such as bones; food material after all the nutrients have been extracted, for example cellulose or lignin; ingested matter which would be toxic if it remained in the digestive tract; and dead or excess gut bacteria and other endosymbionts. anal In the lungfish, sharks and rays the rectum opens into the cloaca which also receives wastes (urine) from the kidneys and material from the reproductive organs. In bony fish the rectum reaches the outside environment through the anus, which is normally situated just in front the urinary and reproductive openings. However in some fish the digestive tract may be curled back on itself, and in the Electric Eel (Electrophorus electricus) the anus is situated in the fish's throat. -- http://www.earthlife.net/fish/digestion.html BTO:0001680 CALOHA:TS-2005 EV:0100082 FBbt:00003148 FMA:15711 GAID:312 MA:0000331 MESH:A03.492.411.495.767.288 OpenCyc:Mx4rvVjaEZwpEbGdrcN5Y29ycA TADS:0000066 TGMA:0001279 UMLS:C0003461 WBbt:0005364 galen:Anus anal opening anal orifice opening of terminal part of digestive tract uberon proctodeum UBERON:0001245 anus UBERON:0001245 The canals that carry bile in the liver between the intralobular ducts and the biliary ductules; interlobular bile ducts are part of the interlobular portal triad. FMA:15767 MA:0002668 UMLS:C0227515 interlobular ductule uberon UBERON:0001246 interlobular bile duct UBERON:0001246 distensible musculomembranous organ situated in the anterior part of the pelvic cavity in which urine collects before excretion[MP]. A saccular organ in which urine accumulates before discharge from the body. [Bemis_WE, Functional_Anatomy_of_the_Vertebrates:_An_Evolutionary_Perspective, Glossary_G-29, Grande_L, Liem_KF, Third_Edition_(2001)_Orlando_Fla.:_Harcourt_College_Publishers, Walker_WF][VHOG] Anatomical structure which consists of a membranous sac used to temporarily store urine until it is excreted from the body.[AAO] In tetrapods, the urinary bladder arises as an outpocketing of the cloaca. (...) The tetrapod urinary bladder appears first among amphibians and is present in Sphenodon, turtles, most lizards, ostriches among birds, and all mammals.[well established][VHOG] vesical The urinary bladder evolved in tetrapods. Birds to not possess a true urinary bladder, although Palaeognathae have an undifferentiated cloacal outpocketing that serves a similar function[https://github.com/obophenotype/uberon/issues/454] bladder AAO:0000623 BTO:0001418 CALOHA:TS-1090 EFO:0000290 EHDAA2:0000174 EHDAA:9328 EMAPA:18321 EV:0100098 FMA:15900 GAID:0000004 MA:0000380 MAT:0000122 MESH:A05.810.161 MIAA:0000122 OpenCyc:Mx4rvVjMmZwpEbGdrcN5Y29ycA UMLS:C0005682 VHOG:0000740 XAO:0000154 galen:UrinaryBladder vesica urinaria uberon urocyst vesica UBERON:0001255 urinary bladder UBERON:0001255 An anatomical wall that is part of a intestine [Automatically generated definition]. we place two MA classes here due to the official ncit2ma mapping to intestinal wall tissue; not clear how bowel and intestine are different BTO:0000647 EMAPA:35181 EMAPA:35444 FMA:15949 MA:0001525 MA:0002693 UMLS:C1708548 anatomical wall of bowel anatomical wall of intestine bowel anatomical wall bowel wall intestinal wall intestine anatomical wall intestine wall wall of bowel uberon bowel wall UBERON:0001262 wall of intestine UBERON:0001262 The secretory units of the exocrine pancreas, where fluid containing digestive enzymes is produced; consists of a group of secretory cells surrounding a luminal space that connects to the pancreatic duct. EMAPA:35651 FMA:16011 MA:0002417 UMLS:C0227578 acinus pancreaticus pancreas acinus uberon pancreatic acinar pancreatic acini UBERON:0001263 pancreatic acinus UBERON:0001263 An endoderm derived structure that produces precursors of digestive enzymes and blood glucose regulating enzymes[GO]. Organ which secretes a fluid containing enzymes that aid in the digestion of food.[AAO] In the hagfish and lampreys (our most primitive vertebrate species of today), the first sign of 'a new organ' is found as collections of endocrine cells around the area of the bile duct connection with the duodenum. These endocrine organs are composed of 99% beta cells and 1% somatostatin-producing delta cells. Compared to the more primitive protochordates (e.g. amphioxus), this represents a stage where all previously scattered insulin-producing cells of the intestinal tissue have now quantitatively migrated to found a new organ involved in sensing blood glucose rather than gut glucose. Only later in evolution, the beta cells are joined by exocrine tissue and alpha cells (exemplified by the rat-, rabbit- and elephant-fishes). Finally, from sharks and onwards in evolution, we have the islet PP-cell entering to complete the pancreas.[well established][VHOG] pancreatic As a secretory organ serving exocrine and endocrine functions, the pancreas is specific to the vertebrates[PMID:16417468] Hagfishes and lampreys are unique in the complete separation of their endocrine pancreas (islet or- gan) and their exocrine pancreas (50). The endocrine and exocrine pancreas are coassociated in crown gnathostomes (50). In Branchiostoma and Ciona, there is no diverticulum as there is in hagfishes, lampreys, and gnathostomes, only dispersed insulin-secreting cells in the walls of the gastrointestinal tract (51, 52) The zebrafish does not have a discrete pancreas. Exocrine pancreatic tissue can be found scattered along the intestinal tract. The acinar structure of the exocrine pancreas is very similar to that of mammals and comprises cells with a very dark, basophilic cytoplasm The mature pancreas of higher vertebrates and mammals comprises two major functional units: the exocrine pancreas, which is responsible for the production of digestive enzymes to be secreted into the gut lumen, and the endocrine pancreas, which has its role in the synthesis of several hormones with key regulatory functions in food uptake and metabolism. The exocrine portion constitutes the majority of the mass of the pancreas, and contains only two different cell types, the secretory acinar cells and the ductular cells. The endocrine portion, which comprises only 1-2% of the total mass, contains five different cell types, which are organized into mixed functional assemblies referred to as the islets of Langerhans AAO:0010112 BTO:0000988 CALOHA:TS-0736 EFO:0000855 EHDAA2:0001367 EHDAA:6893 EMAPA:17503 EV:0100092 FMA:7198 GAID:334 MA:0000120 MAT:0000075 MESH:D010179 MIAA:0000075 OpenCyc:Mx4rvVimZZwpEbGdrcN5Y29ycA TAO:0000140 UMLS:C0030274 VHOG:0000050 XAO:0000136 ZFA:0000140 galen:Pancreas uberon UBERON:0001264 pancreas UBERON:0001264 The organism subdivision that includes the pelvic girdle skeleton and associated soft tissue. Note that this includes both the skeletal elements and associated tissues (integument, muscle, etc). Examples: There are only two instances in an organism, right and left pectoral girdle regions. this class describes the subdivision of the limb/fin, NOT the skeleton within. See also: skeleton of pectoral girdle (UBERON:0007831). See also comments on obo-anatomy mail list. Note that even though the class includes soft tissue it is more restrictive than 'pelvis' which also includes structures in cavities etc. TODO this needs to be better documented Subdivision of lower limb or fin which links the limb/fin to the body[FMA,modified]. There is only one instance of the pelvic girdle region per organism.[VSAO] FMA:16581 UMLS:C0684083 VSAO:0000304 uberon girdle - pelvic pelvic girdle UBERON:0001271 pelvic girdle region UBERON:0001271 The epithelial layer of the stomach . in FMA this is classified as simple columnar, MA divides this into squamous and glandular BTO:0000500 CALOHA:TS-2068 EHDAA2:0001918 EMAPA:17023 FMA:17091 MA:0001610 VHOG:0001433 epithelial tissue of stomach epithelial tissue of ventriculus epithelium of ventriculus stomach epithelial tissue stomach epithelium ventriculus epithelial tissue ventriculus epithelium uberon gastric epithelium UBERON:0001276 epithelium of stomach UBERON:0001276 A multi-organ-part structure that consists of three vessels of the portal lobule including the bile duct, a terminal branch of the hepatic artery and portal vein, and may also include a lymphatic vessel The misnomer 'portal triad' traditionally has included only the first three structures, and was named before lymphatic vessels were discovered in the structure. It can refer both to the largest branch of each of these vessels running inside the hepatoduodenal ligament, and to the smaller branches of these vessels inside the liver. FMA:17523 MA:0002499 UMLS:C0227514 trias hepatica uberon trias hepatica UBERON:0001279 portal triad UBERON:0001279 The functional units of the liver including the lobules. the (liver) tubular structure (dual layered parenchyma) appears to be conserved among all embryonic vertebrates (...) it is not unlikely that all vertebrate livers share the same fundamental functional unit.[well established][VHOG] UBERON:0003223 AAO:0010405 EHDAA2:0001004 EHDAA:2201 EMAPA:17203 FMA:17540 MA:0000366 VHOG:0000539 XAO:0000454 hepatic parenchyma liver parenchyme parenchyma of liver uberon hepatic parenchyme UBERON:0001280 liver parenchyma UBERON:0001280 the tubules located between the bile canaliculi and interlobular bile ducts near the outer edge of a classic liver lobule Note that this is part of the intrahepatic bile duct in MA, as this class is more alike the tree in FMA. Note also that SCT has canal of Hering and Entire IBduct as the only sibling terms under 'Structure of intralobular bile duct' (i.e. the CoH is the only part of the entire IBduct) FMA:17545 MA:0002669 UMLS:C0227517 canal of Herring cholangiole ductus interlobularis bilifer uberon canal of Hering canals of Hering duct of Herring intrahepatic bile ductule UBERON:0001282 intralobular bile duct UBERON:0001282 The anus and surrounding regions. Encompasses both internal and external regions, where present Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut.[uncertain][VHOG] EFO:0000847 EHDAA2:0000122 EHDAA:2931 EMAPA:16831 MA:0000329 MAT:0000042 MIAA:0000042 UMLS:C0230120 VHOG:0000395 WBbt:0006919 uberon posterior posterior end of organism UBERON:0001353 anal region UBERON:0001353 Anatomical system that is a multi-element, multi-tissue anatomical cluster that consists of the skeleton and the articular system. Anatomical system consisting of multiple elements and tissues that provides physical support.[TAO] Anatomical system that is a multi-element, multi-tissue anatomical cluster that consists of the skeleton and the articular system.[VSAO] System that provides physical support to the organism.[AAO] By taking a holistic approach, integration of the evidence from molecular and developmental features of model organisms, the phylogenetic distribution in the 'new animal phylogeny' and the earliest fossilized remains of mineralized animal skeletons suggests independent origins of the skeleton at the phylum level.[debated][VHOG] skeletal GO defines skeletal system very generically: The skeleton is the bony framework of the body in vertebrates (endoskeleton) or the hard outer envelope of insects (exoskeleton or dermoskeleton) GO:0001501; however, all annotations are to vertebrates AAO:0000566 BTO:0001486 CALOHA:TS-1320 EFO:0000806 EHDAA2:0003168 EMAPA:35773 FMA:23881 MA:0000018 OpenCyc:Mx4rvVi1rpwpEbGdrcN5Y29ycA TAO:0000434 UMLS:C0037253 VHOG:0001254 VSAO:0000027 XAO:0003060 ZFA:0000434 skeleton system set of all bones and joints uberon Skelettsystem UBERON:0001434 skeletal system https://github.com/obophenotype/uberon/wiki/The-skeletal-system UBERON:0001434 Subdivision of trunk proper, which is demarcated from the neck by the plane of the superior thoracic aperture and from the abdomen internally by the inferior surface of the diaphragm and externally by the costal margin and associated with the thoracic vertebral column and ribcage and from the back of the thorax by the external surface of the posterolateral part of the rib cage, the anterior surface of the thoracic vertebral column and the posterior axillary lines; together with the abdomen and the perineum, it constitutes the trunk proper[FMA]. FMA:24216 present in FMA1, but gone in subsequent versions pectoral thoracic BTO:0001368 CALOHA:TS-1039 EFO:0000965 EV:0100010 FMA:9576 GAID:91 MA:0000031 MAT:0000295 MESH:A01.911 MIAA:0000295 OpenCyc:Mx4rvVikFZwpEbGdrcN5Y29ycA UMLS:C0817096 UMLS:C1527391 galen:Chest galen:Thorax anterolateral part of thorax front of thorax pectus ventral part of thoracic region uberon thoracic body wall thorax UBERON:0001443 chest UBERON:0001443 FMA:24218 XAO:0000040 head subdivision uberon head region region of head UBERON:0001444 subdivision of head UBERON:0001444 A subdivision of the head that has as parts the layers deep to the surface of the anterior surface, including the mouth, eyes, and nose (when present). In vertebrates, this includes the facial skeleton and structures superficial to the facial skeleton (cheeks, mouth, eyeballs, skin of face, etc). Subdivision of head which consists of the viscerocranium and all layers superficial to it. Examples: There is only one face. The area that extends from the median ocellus to the oral foramen[HAO]. facial The face develops from outward growth of tissue located rostral to the cranium & pharynx. The lower jaw and most of the upper jaw are formed by growth of the first pharyngeal (branchial) arch. The upper incisor region and the nose and forehead (frontal region) are formed from tissue located rostral to the neural tube (frontonasal prominence) BTO:0003369 CALOHA:TS-2216 EMAPA:32763 FMA:24728 GAID:64 HAO:0000316 MA:0002473 MESH:D005145 OpenCyc:Mx4rvVi5GZwpEbGdrcN5Y29ycA UMLS:C0015450 galen:Face uberon facia/facies visage UBERON:0001456 face UBERON:0001456 Skeletal element that is composed of bone tissue. Also called osseous tissue, (Latin: os). Is a type of hard endoskeletal connective tissue found in many vertebrate animals. Bone is the main tissue of body organs that support body structures, protect internal organs, (in conjunction with muscles) facilitate movement; and are involved with cell formation, calcium metabolism, and mineral storage.[AAO] Portion of tissue which is calcified connective tissue making up the structural elements of the skeletal system.[TAO] Skeletal element that is composed of bone tissue.[VSAO] relationship loss: subclass specialized connective tissue (AAO:0000571)[AAO] The 'new animal phylogeny' reveals that many of the groups known to biomineralize sit among close relatives that do not, and it favours an interpretation of convergent or parallel evolution for biomineralization in animals. (...) Whether this 'biomineralization toolkit'of genes reflects a parallel co-option of a common suite of genes or the inheritance of a skeletogenic gene regulatory network from a biomineralizing common ancestor remains an open debate.[debated][VHOG] AAO:0000047 AEO:0000082 BTO:0000140 CALOHA:TS-0088 EFO:0000298 EHDAA2:0003082 EMAPA:32782 ENVO:00002039 EV:0100140 FMA:30317 FMA:5018 GAID:92 MA:0001459 MAT:0000299 MIAA:0000299 OpenCyc:Mx4rvViDlpwpEbGdrcN5Y29ycA OpenCyc:Mx4rvVkCG5wpEbGdrcN5Y29ycA TAO:0001514 UMLS:C0262950 VHOG:0001190 VSAO:0000057 XAO:0000169 ZFA:0001514 galen:Bone bone element bone organ uberon bone bones UBERON:0001474 bone element UBERON:0001474 An articular capsule (or joint capsule) is an envelope surrounding a synovial joint. [WP,unvetted]. check ncita FMA:34836 GAID:263 MA:0001519 MESH:D017746 UMLS:C0206207 galen:JointCapsule capsula articularis fibrous capsule of joint joint capsule joint fibrous capsule uberon capsulae articulares UBERON:0001484 articular capsule UBERON:0001484 A tube extending from the mouth to the anus. The alimentary or digestive tract, and associated organs.[TAO] The bilaterian gut is typically a complete tube that opens to the exterior at both ends. It consists of mouth, foregut, midgut, hindgut, and anus (reference 1); Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut (reference 2).[well established][VHOG] FMA also has a term 'gastrointestinal tract', but this includes the liver. we place the MA and EMAPA class here, although the intent is probably a smaller region. See https://github.com/obophenotype/uberon/issues/509 we following Kardong in naming the entire tube from mouth to anus the alimentary canal. Kardong calls the portion of this tract that excludes buccal cavity and pharynx the 'alimentary canal', consider adding an extra class for this gut AAO:0010023 BILA:0000083 BTO:0000511 BTO:0000545 EHDAA2:0000726 EHDAA:518 EMAPA:16247 FBbt:00003125 FMA:45615 MA:0000917 OpenCyc:Mx4rvVi0GpwpEbGdrcN5Y29ycA TAO:0000112 TGMA:0001819 UMLS:C0017189 VHOG:0000309 WBbt:0005743 ZFA:0000112 galen:AlimentaryTract digestive tube enteric tract alimentary canal alimentary tract uberon digestive canal gut tube UBERON:0001555 digestive tract UBERON:0001555 Subdivision of urinary system which consists of the urinary bladder and the urethra. FMA:45659 MA:0002636 galen:LowerUrinaryTract uberon UBERON:0001556 lower urinary tract UBERON:0001556 The ciliary muscle is a ring of smooth muscle in the middle layer of the eye that controls the eye's accommodation for viewing objects at varying distances and regulates the flow of aqueous humour through Schlemm's canal. [WP,unvetted]. BTO:0000654 EMAPA:35240 FMA:49151 MA:0001269 UMLS:C0559230 musculus ciliarus uberon Bowman`s muscles ciliaris musculus ciliaris UBERON:0001605 ciliary muscle UBERON:0001605 Organ consisting of a tissue made up of various elongated cells that are specialized to contract and thus to produce movement and mechanical work[GO]. Portion of tissue composed of contractile fibers.[TAO] It seems clear that the metazoan ancestor inherited from its unicellular descendants an actin cytoskeleton and motor-proteins of the myosin superfamily. Within metazoans, these two molecules were arranged into effective contractile units, the muscles. The basic trends for muscle evolution are already expressed in the diploblastic taxa.[well established][VHOG] muscular muscle AAO:0011066 EMAPA:32715 EV:0100146 FMA:5022 GAID:131 MA:0000015 OpenCyc:Mx4rv2kf-5wpEbGdrcN5Y29ycA TAO:0005145 VHOG:0001245 XAO:0000172 ZFA:0005145 galen:Muscle uberon UBERON:0001630 muscle organ UBERON:0001630 An epithelial tube or tree of tibes that transports blood away from the heart[modified from AEO definition]. Note that in FMA an artery is a tree, whereas AEO/JB defines it as a tube; FMA includes a separate class for what it calls the trunk. Classification in this ontology may currently (Jan 2012) represent a mix of both schemes, although we are gradually revising in the direction of the AEO scheme. Part of the circulatory system composed of blood vessels which carry oxygenated blood away from the heart to the rest of the body.[AAO] The appearance of Chordata and subsequently the vertebrates is accompanied by a rapid structural diversification of this primitive linear heart: looping, unidirectional circulation, an enclosed vasculature, and the conduction system.[well established][VHOG] arterial AAO:0010211 AEO:0000208 BTO:0000573 CALOHA:TS-0054 EFO:0000814 EHDAA2:0000143 EHDAA2:0003253 EMAPA:35147 EV:0100026 FMA:50720 GAID:468 MA:0000064 MAT:0000034 MESH:D001158 MIAA:0000034 OpenCyc:Mx4rvVjknZwpEbGdrcN5Y29ycA TAO:0000005 UMLS:C0003842 VHOG:0001251 XAO:0000114 ZFA:0000005 galen:Artery arterial subtree arterial tree organ part arteries uberon arterial system arterial vessel UBERON:0001637 artery UBERON:0001637 Any of the tubular branching vessels that carry blood from the capillaries toward the heart. TODO - check with MA - vein vs venous blood vessel Part of the circulatory system composed of blood vessels which carry blood from other organs, tissues, and cells to the heart.[AAO] The appearance of Chordata and subsequently the vertebrates is accompanied by a rapid structural diversification of this primitive linear heart: looping, unidirectional circulation, an enclosed vasculature, and the conduction system.[well established][VHOG] venous subtree venous vessel AAO:0010212 AEO:0000209 BTO:0000234 CALOHA:TS-1108 EFO:0000816 EHDAA2:0003254 EMAPA:35906 EV:0100031 FMA:50723 GAID:492 MA:0000067 MAT:0000037 MESH:D014680 MIAA:0000037 OpenCyc:Mx4rvVjkWpwpEbGdrcN5Y29ycA TAO:0000082 UMLS:C0042449 VHOG:0001743 XAO:0000115 ZFA:0000082 galen:Vein venous tree organ part uberon vascular element vena venae UBERON:0001638 vein UBERON:0001638 Sense organ in vertebrates that is specialized for the detection of sound, and the maintenance of balance. Includes the outer ear and middle ear, which collect and transmit sound waves; and the inner ear, which contains the organs of balance and (except in fish) hearing. Also includes the pinna, the visible part of the outer ear, present in some mammals. The organ of hearing and of equilibrium. [TFD][VHOG] Both vertebrate and invertebrate auditory organs are thought to have evolved from primitive mechanosensors, but the nature of the ancestral structure and the evolutionary trajectories followed in distinct animal lineages remain unknown. In particular, we do not know how many types of mechanosensor existed in the protostome-deuterostome ancestor from which insects and vertebrates evolved or whether the PDA had an auditory organ.[well established][VHOG] auricular AAO:0011014 BTO:0000368 CALOHA:TS-1165 EFO:0000826 EHDAA2:0000423 EHDAA:502 EMAPA:16193 EV:0100353 FMA:52780 GAID:62 MA:0000236 MAT:0000138 MESH:D004423 MIAA:0000138 OpenCyc:Mx4rvViXS5wpEbGdrcN5Y29ycA OpenCyc:Mx4rvVjL05wpEbGdrcN5Y29ycA UMLS:C0013443 UMLS:C0521421 VHOG:0000330 XAO:0000189 galen:Ear uberon auditory apparatus auris UBERON:0001690 ear UBERON:0001690 A horn-like keratin structure covering the dorsal aspect of the terminal phalanges of fingers and toes[WP]. Use this class for both the nails of primates and the homologous claws of mammals such as mouse. A primate's nail consists of the unguis alone; the subunguis has disappeared BTO:0001719 CALOHA:TS-2034 EFO:0000956 EMAPA:35580 EV:0100159 FMA:54326 GAID:1320 MA:0002703 MAT:0000158 MESH:D009262 MIAA:0000158 OpenCyc:Mx4rvVjJv5wpEbGdrcN5Y29ycA UMLS:C0027342 VHOG:0001361 XAO:0003103 galen:Nail nail/claw claw uberon talon UBERON:0001705 The nails of humans and the claws are moth are highly similar. Both species have a proximal nail fold, cuticle, nail matrix, nail bed, nail plate, and hyponychium. Distinguishing features are the shape of the nail and the presence of an extended hyponychium in the mouse [PMC3579226] nail UBERON:0001705 A fold of skin that covers and protects part of the eyeball. Examples: upper eyelid, lower eyelid, nictitating membrane blepharic palpebral In humans the upper and lower eyelid consists of the following layers, starting anteriorly: (1) skin, (2) a layer of subcutaneous connective tissue, (3) a layer of striated muscle fibres of the orbicularis muscle, (4) a layer of submuscular connective tissue, (5) a fibrous layer, including the tarsal plates, (6) a layer of smooth muscle, (7) the palpebral conjunctiva. Consider adding 'eye surface', like MA FMA divides this into skin, fascia, conjunctiva BTO:0002241 EHDAA2:0000487 EHDAA:9037 EMAPA:17829 EV:0100338 FMA:54437 GAID:72 MA:0000268 MESH:D005143 OpenCyc:Mx4rvVi4m5wpEbGdrcN5Y29ycA UMLS:C0015426 VHOG:0000016 blepharon eye lid palpebra uberon blephara palpebrae UBERON:0001711 eyelid UBERON:0001711 the pigmented middle of the three concentric layers that make up an eye, consisting of the iris, ciliary body and choroid[WP,edited]. TODO - check child terms, isa vs partof. See also MA:0001284 ! tunica vasculosa plexus uveal CALOHA:TS-2228 EMAPA:35901 FMA:58103 GAID:912 MA:0002480 MESH:D014602 UMLS:C0042160 tunica vasculosa of eyeball uvea uveal tract uberon pars iridica retinae tunica vasculatis oculi tunica vasculosa bulbi vascular layer of eyeball UBERON:0001768 uvea UBERON:0001768 the adjustable membrane, composed of the stroma and pigmented epithelium, located just in front of the crystalline lens within the eye The opaque muscular contractile diaphragm suspended in the aqueous humour in front of the lens of the eye. The organ is perforated by the pupil and continues peripherally with the ciliary body. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] The eye of the adult lamprey is remarkably similar to our own, and it possesses numerous features (including the expression of opsin genes) that are very similar to those of the eyes of jawed vertebrates. The lamprey's camera-like eye has a lens, an iris and extra-ocular muscles (five of them, unlike the eyes of jawed vertebrates, which have six), although it lacks intra-ocular muscles. Its retina also has a structure very similar to that of the retinas of other vertebrates, with three nuclear layers comprised of the cell bodies of photoreceptors and bipolar, horizontal, amacrine and ganglion cells. The southern hemisphere lamprey, Geotria australis, possesses five morphological classes of retinal photoreceptor and five classes of opsin, each of which is closely related to the opsins of jawed vertebrates. Given these similarities, we reach the inescapable conclusion that the last common ancestor of jawless and jawed vertebrates already possessed an eye that was comparable to that of extant lampreys and gnathostomes. Accordingly, a vertebrate camera-like eye must have been present by the time that lampreys and gnathostomes diverged, around 500 Mya.[well established][VHOG] iridial The avian iris and ciliary body undergoes a transition from smooth-to-striated muscle during embryonic development [doi:dx.doi.org/10.1006/dbio.1998.9019] AAO:0010347 BTO:0000653 CALOHA:TS-0491 EFO:0004245 EMAPA:19154 EV:0100345 FMA:58235 GAID:917 MA:0000273 MESH:D007498 OpenCyc:Mx4rvVjbppwpEbGdrcN5Y29ycA TAO:0001238 UMLS:C0022077 VHOG:0000101 XAO:0000185 ZFA:0001238 uberon anterior uvea irides irises UBERON:0001769 iris UBERON:0001769 the smooth stratified squamous epithelium that covers the outer surface of the cornea Portion of tissue comprised of four to six layers of nonkeratinized, stratified squamous cells and represents approximately 60% of the thickness of the cornea.[TAO] In Humans: It consists of several layers of cells. The cells of the deepest layer are columnar; then follow two or three layers of polyhedral cells, the majority of which are prickle cells similar to those found in the stratum mucosum of the cuticle. Lastly, there are three or four layers of squamous cells, with flattened nuclei In zebrafish: nonpigmented, stratified squamous nonkeratinizing epithelial cells, attached to a thick basement membrane that is considered to be analogous to the Bowman's membrane in mammals BTO:0000287 CALOHA:TS-0173 EFO:0001917 EHDAA2:0000319 EMAPA:17162 FMA:58263 GAID:895 MA:0001243 MESH:D019573 TAO:0002187 UMLS:C0459875 ZFA:0001683 anterior corneal epithelium cornea epithelial tissue cornea epithelium epithelial tissue of cornea epithelium anterius (cornea) epithelium anterius corneae epithelium corneæ anterior layer epithelium of cornea external epithelium of cornea uberon anterior endothelium of cornea e. anterius corneae endothelium anterius corneae endothelium camerae anterioris bulbi endothelium corneale epithelium posterius corneae UBERON:0001772 corneal epithelium UBERON:0001772 Opaque fibrous outer layer of the eyeball[ZFA,Kardong,WP]. The sclera, also known as the white part of the eye, is the opaque (usually white, though certain animals, such as horses and lizards, can have black sclera), fibrous, protective, outer layer of the eye containing collagen and elastic fiber. It is derived from the neural crest. In children, it is thinner and shows some of the underlying pigment, appearing slightly blue. In the elderly, however, fatty deposits on the sclera can make it appear slightly yellow. The sclera forms the posterior five sixths of the connective tissue coat of the globe. It is continuous with the dura mater and the cornea, and maintains the shape of the globe, offering resistance to internal and external forces, and provides an attachment for the extraocular muscle insertions. The sclera is perforated by plenty of nerves and vessels passing through the posterior scleral foramen, the hole that is formed by the optic nerve. At the optic disk the outer two-thirds of the sclera continues with the dura mater (outer coat of the brain) via the dural sheath of the optic nerve. The inner third joins with some choroidal tissue to form a plate (lamina cribrosa) across the optic nerve with perforations through which the optic fibers (fasciculi). The thickness of the sclera varies from 1mm at the posterior pole to 0.3 mm just behind the rectus muscle insertions. The sclera's blood vessels are mainly on the surface, and together with the conjunctiva (which lies on top) This is a thin layer covering the sclera. Along with the vessels of the conjunctiva, those of the sclera renders the inflamed eye bright red. [WP,unvetted][Wikipedia:Sclera]. The tough, usually white, outer coat of the eyeball, covering all the posterior surface and continuous anteriorly with the cornea. [TFD][VHOG] scleral in fish, reptiles and monotremes the connective tissue of the sclera is skeletal continuous with the dura mater and the cornea; The sclera forms the posterior five-sixths of the connective tissue coat of the globe. Majority derives from NC that surrounds optic cup of neurectoderm; a small temporal portion develops from the mesoderm that contributes to striated extra-ocular muscles and vascular endothelia[Rada&Johnson]. Seko et al demonstrate chondrogenic potential and identify this as connective tissue[doi:10.1371/journal.pone.0003709]. AAO:0010354 BTO:0001606 EMAPA:19027 EV:0100342 FMA:58269 GAID:911 MA:0000280 MESH:D012590 OpenCyc:Mx4rv7yR55wpEbGdrcN5Y29ycA UMLS:C0036410 VHOG:0001274 XAO:0000183 ZFA:0005563 uberon scleral capsule UBERON:0001773 Disease notes: implicated in rheumatoid arthritis. sclera UBERON:0001773 the thickened portion of the vascular tunic, which lies between the choroid and the iris, composed of ciliary muscle and ciliary processes The eye of the adult lamprey is remarkably similar to our own, and it possesses numerous features (including the expression of opsin genes) that are very similar to those of the eyes of jawed vertebrates. The lamprey's camera-like eye has a lens, an iris and extra-ocular muscles (five of them, unlike the eyes of jawed vertebrates, which have six), although it lacks intra-ocular muscles. Its retina also has a structure very similar to that of the retinas of other vertebrates, with three nuclear layers comprised of the cell bodies of photoreceptors and bipolar, horizontal, amacrine and ganglion cells. The southern hemisphere lamprey, Geotria australis, possesses five morphological classes of retinal photoreceptor and five classes of opsin, each of which is closely related to the opsins of jawed vertebrates. Given these similarities, we reach the inescapable conclusion that the last common ancestor of jawless and jawed vertebrates already possessed an eye that was comparable to that of extant lampreys and gnathostomes. Accordingly, a vertebrate camera-like eye must have been present by the time that lampreys and gnathostomes diverged, around 500 Mya.[well established][VHOG] AAO:0010341 BTO:0000260 CALOHA:TS-0694 EMAPA:19065 EV:0100346 FMA:58295 GAID:916 MA:0000264 MESH:D002924 UMLS:C0008779 VHOG:0000102 XAO:0000186 ocular ciliary body uberon anterior uvea ciliary bodies corpus ciliare UBERON:0001775 ciliary body UBERON:0001775 vascular layer containing connective tissue, of the eye lying between the retina and the sclera. The choroid provides oxygen and nourishment to the outer layers of the retina. Along with the ciliary body and iris, the choroid forms the uveal tract[WP]. check choroid vs choroid layer; check ZFA/TAO placement - no homology assertion in VHOG. Note this is entirely in the posterior region of eyeball in ZFA choroidal MP treats posterior uvea and optic choroid as distinct BTO:0001829 CALOHA:TS-2054 EMAPA:19077 EV:0100347 FMA:58298 GAID:913 MA:0000263 MESH:D002829 TAO:0005229 UMLS:C0008520 VHOG:0001568 ZFA:0005229 choroid choroid coat choroidea eye choroid posterior uvea uberon chorioid choroidea optic choroid UBERON:0001776 optic choroid UBERON:0001776 Any of the layers that make up the retina[MP]. MA does not treat internal/external limiting memranes as layers - these are classified as laminae. Here we follow other ontologies in grouping with other layers. MA also treats retinal pigment epithelium and neural retina epithelium as distinct from the layers. We follow ontologies such as FMA and ZFA in first dividing into pigmented and neural layers - these are also classified as layers, giving us over the usual 10 layers AAO:0010353 EMAPA:35742 FMA:58617 MA:0001319 UMLS:C0459649 XAO:0000266 retina layer retina neuronal layer retinal layer retinal neuronal layer uberon UBERON:0001781 layer of retina UBERON:0001781 any of the parts of the eye that lie in front of, or ventral to, the lens (inclusive) EMAPA:36594 FMA:58865 MA:0002484 MESH:D000869 UMLS:C0003153 ZFA:0005566 anterior eye segment anterior segment eye anterior segment of eye anterior segment of the eye eye anterior segment segmentum anterius (bulbus oculi) uberon segmentum anterius bulbi oculi UBERON:0001801 anterior segment of eyeball UBERON:0001801 any of the parts of the eye that lie in back of, or dorsal to, the lens (but not inclusive) EMAPA:36595 FMA:58868 MA:0002485 UMLS:C0278450 ZFA:0005567 eye posterior segment posterior eye segment posterior segment eye posterior segment of eye posterior segment of the eye segmentum posterius (bulbus oculi) uberon segmentum posterius bulbi oculi UBERON:0001802 posterior segment of eyeball UBERON:0001802 The most anterior region the brain including both the telencephalon and diencephalon. Most anterior of the three regions of the brain consisting of the telencephalon and diencephalon.[AAO] The most anterior region the brain including both the telencephalon and diencephalon. Kimmel et al, 1995.[TAO] relationship loss: develops_from forebrain neural tube (TAO:0007041)[TAO] In craniate embryos, neural expression of Distal-less-related genes is exclusively in the forebrain (...). Because the major neural expression domain of amphioxus AmphiDll is in the anterior three-fourths of the cerebral vesicle, we suggest that this region of the neural tube is homologous to parts of the craniate forebrain. This conclusion is strongly supported by three-dimensional, computer-assisted reconstruction of the neural tube of amphioxus based on serial transmission electron microscopy. At the neuroanatomical level, a number of detailed homologies are indicated between the anterior three-fourths of the amphioxus cerebral vesicle and the diencephalic region of the craniate forebrain. If one assumes that the amphioxus condition fairly represents the nervous system of the proximate ancestor of the craniates, one can suggest that they evolved from a creature that had the beginnings of a forebrain.[well established][VHOG] prosencephalic FB AAO:0010147 BAMS:FB BAMS:Forebrain BTO:0000478 CALOHA:TS-0380 DHBA:10156 DMBA:15566 EFO:0000909 EHDAA2:0000556 EHDAA:3470 EMAPA:16895 FMA:61992 MA:0000170 MAT:0000105 MESH:D016548 MIAA:0000105 TAO:0000109 UMLS:C0085140 VHOG:0000383 XAO:0000011 ZFA:0000109 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=27 uberon prosencephalon UBERON:0001890 forebrain UBERON:0001890 The midbrain is the middle division of the three primary divisions of the developing chordate brain or the corresponding part of the adult brain (in vertebrates, includes a ventral part containing the cerebral peduncles and a dorsal tectum containing the corpora quadrigemina and that surrounds the aqueduct of Sylvius connecting the third and fourth ventricles)[GO]. developmental relationships need revised Middle part of the brain composed of the optic tectum and penducular region.[AAO] The brain region between the forebrain anteriorly and the hindbrain posteriorly, including the tectum dorsally and the midbrain tegmentum ventrally. Kimmel et al, 1995.[TAO] Fine structural, computerized three-dimensional (3D) mapping of cell connectivity in the amphioxus nervous system and comparative molecular genetic studies of amphioxus and tunicates have provided recent insights into the phylogenetic origin of the vertebrate nervous system. The results suggest that several of the genetic mechanisms for establishing and patterning the vertebrate nervous system already operated in the ancestral chordate and that the nerve cord of the proximate invertebrate ancestor of the vertebrates included a diencephalon, midbrain, hindbrain, and spinal cord.[well established][VHOG] mesencephalic part of brainstem in ABA - we reject this in favor of ISBN10:0471888893 which has an implicit overlaps relationships MB AAO:0010149 BAMS:MES BM:MB BTO:0000138 CALOHA:TS-0630 DHBA:10648 DMBA:16649 EFO:0000919 EHDAA2:0001162 EHDAA:3694 EMAPA:16974 EV:0100242 FMA:61993 HBA:9001 MA:0000207 MAT:0000106 MBA:313 MESH:D008636 MIAA:0000106 OpenCyc:Mx4rvsBUqpwpEbGdrcN5Y29ycA RETIRED_EHDAA2:0001104 TAO:0000128 UMLS:C0025462 VHOG:0000069 XAO:0000014 ZFA:0000128 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=462 uberon mesencephalon UBERON:0001891 midbrain UBERON:0001891 Part of the forebrain consisting of paired olfactory bulbs and cerebral hemispheres. Organ component of neuraxis that has as its parts the cerebral cortex, cerebral white matter, basal ganglia, septum and fornix, as well as subcortical gray and white matter structures[FMA:62000]. Part of the forebrain consisting of paired olfactory bulbs and cerebral hemispheres.[AAO] The anterior and dorsal forebrain neuromere, includes the olfactory bulb. Kimmel et al, 1995.[TAO] relationship loss: develops_from presumptive telencephalon (TAO:0000571)[TAO] From an evolutionary standpoint, the telencephalon is the most recent brain structure: the amphioxus does not have this structure as a morphological entity. Overt telencephalon is present in the hagfish and lamprey to receive numerous input fibers from various parts of the CNS, similar to gnathostomes.[well established][VHOG] cerebral telenencephalic In mammals the cortex covers almost the whole of the cerebral hemispheres. In ray-finned fishes the inner surfaces of the lateral and ventral regions of the cerebrum bulge up into the ventricles. In the amniotes, the cerebrum becomes increasingly large and complex. In reptiles, the paleopallium is much larger than in amphibians, and its growth has pushed the basal nuclei into the central regions of the cerebrum. In the most primitive living vertebrates, the hagfishes and lampreys, the cerebrum is a relatively simple structure receiving nerve impulses from the olfactory bulb. The cerebrum of birds has evolved along different lines to that of mammals, although they are similarly enlarged, by comparison with reptiles. However, this enlargement is largely due to the basal ganglia, with the other areas remaining relatively primitive in structure. dolphins are the only species (other than humans) to have cerebra accounting for as much as 2 percent of their body weight. supratentorial region AAO:0010479 BAMS:CB BAMS:CH BAMS:IV BAMS:Tel BM:Tel BTO:0000239 CALOHA:TS-1018 DHBA:10158 EFO:0000912 EHDAA2:0001982 EMAPA:16652 EMAPA:16910 EV:0100165 FMA:62000 GAID:621 HBA:4007 MA:0000183 MAT:0000421 MBA:567 MESH:D013687 MIAA:0000421 PBA:128011350 TAO:0000079 UMLS:C0039452 VHOG:0000283 XAO:0000012 ZFA:0000079 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=31 cerebrum endbrain uberon UBERON:0001893 telencephalon UBERON:0001893 Rostral segment of the hindbrain that has as its parts the pons (where present) and the cerebellum[WP,modified]. Anterior part of the hindbrain ventral to the cerebellum[NIFSTD:birnlex_965]. The anterior of two brain vesicles formed by specialization of the rhombencephalon in the developing embryo. It gives rise to cerebellum and pons. [TFD][VHOG] The early development of most vertebrate brains is similar (...). The zebrafish neural tube follows the same basic differentiation pattern as the mammalian neural tube (reference 1); The brain develops from three embryonic enlargements of the neural tube, which later differentiate into five regions. A forebrain differentiates into telencephalon and diencephalon. The midbrain, or mesencephalon, remains undivided. The hindbrain divides into the metencephalon and myelencephalon. Cavities within the brain enlarge to form a series of interconnected ventricles (reference 2).[well established][VHOG] epencephalon BAMS:Met BTO:0000673 CALOHA:TS-2029 DHBA:10655 EHDAA2:0001149 EHDAA:5498 EMAPA:17071 FMA:62003 GAID:594 HBA:4833 MA:0000197 MESH:D020540 UMLS:C0376353 UMLS:C1516904 VHOG:0000741 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=543 epencephalon-2 uberon UBERON:0001895 the terms metencephalon and myelencephalon are only meaningful in mammals and birds[Neuroanatomy of the Zebrafish Brain]. In zebrafish, with the exception of the cerebellum, the ventral remainder of the metencephalon can be separated only arbitrarily from the more caudal myelencephalic portion of the medulla oblongata and thus these are not distinguished in ZFA[ZFA]. metencephalon UBERON:0001895 Organ component of neuraxis that has as its parts the medullary reticular formation, inferior olivary complex and cochlear nuclear complex, among other structures[FMA]. The medulla oblongata lies directly above the spinal cord and controls vital autonomic functions such as digestion, breathing and the control of heart rate[GO]. Posterior portion of the hindbrain which controls respiration, heartbeat, digestion, and swallowing as well as some locomotor responses.[AAO] The posterior region of the brain that is continuous with the spinal cord. [Bemis_WE, Functional_Anatomy_of_the_Vertebrates:_An_Evolutionary_Perspective, Glossary_G-17, Grande_L, Liem_KF, Third_Edition_(2001)_Orlando_Fla.:_Harcourt_College_Publishers, Walker_WF][VHOG] Classical anatomical studies subdivided the vertebrate rhombencephalon into pons and medulla oblongata. (...) The medulla oblongata appears therefore as a tagma, that is, a group of segmental units (pseudorhombomeres, in this case) sharing some morphological and molecular characteristics, and in some aspects different from the segmental units present in adjoining brain regions, pons and spinal cord.[well established][VHOG] bulb medulla AAO:0010486 BAMS:MY BAMS:Md BM:Me BTO:0000041 CALOHA:TS-0607 DMBA:17352 EFO:0000924 EHDAA2:0001088 EHDAA:7588 EMAPA:17550 EV:0100275 FMA:62004 GAID:590 MA:0000206 MAT:0000111 MAT:0000367 MBA:354 MESH:D008526 MIAA:0000111 OpenCyc:Mx4rvVjxSJwpEbGdrcN5Y29ycA OpenCyc:Mx4rwCqnXJwpEbGdrcN5Y29ycA TAO:0000545 UMLS:C0025148 UMLS:C1269575 VHOG:0000181 XAO:0003100 ZFA:0000545 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=698 bulbus uberon medulla oblonzata metepencephalon UBERON:0001896 medulla oblongata UBERON:0001896 Ventral part of the midbrain, separated from the hindbrain by the isthmus[ISBN10:0471888893]. Subdivision of the midbrain lying anterior to the tectum and posterior to the substantia nigra and cerebral peduncle[FMA] The part of the midbrain extending from the substantia nigra to the cerebral aqueduct in a horizontal section of the midbrain. It forms the floor of the midbrain that surrounds the cerebral aqueduct[WP]. Together, our results reveal a shared basic organization in the tegmental domains of the diencephalon and midbrain of developing lamprey, indicating early appearance of the domain in vertebrate phylogeny.[well established][VHOG] MTg tegmentum BAMS:MTg BTO:0003388 DHBA:12195 EFO:0000921 EHDAA2:0004475 EMAPA:18215 FMA:62393 HBA:9002 MA:0000212 MAT:0000452 TAO:0000160 UMLS:C0039441 VHOG:0001367 XAO:0004271 ZFA:0000160 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=491 tegmentum mesencephali tegmentum of midbrain uberon mesencephalic tegmentum tegmentum mesencephalicum UBERON:0001943 'tegmentum' is used generically for the ventral part of the brainstem (ISBN10:0471888893). We use the label 'midbrain tegmentum' to denote the midbrain structure. In NIFSTD tegmentum is a composite structure and there is a separate class for midbrain tegmentum and pontine tegmentum midbrain tegmentum UBERON:0001943 The liquid component of blood, in which erythrocytes are suspended. plasma portion of plasma BTO:0000131 CALOHA:TS-0800 EFO:0001905 EMAPA:35690 FMA:62970 GAID:1178 MA:0002501 MAT:0000052 MESH:D010949 MIAA:0000052 OpenCyc:Mx4rEg4ZYrIbEduAAAAOpmP6tw UMLS:C0032105 blood plasm portion of blood plasma uberon UBERON:0001969 blood plasma UBERON:0001969 vital aqueous secretion of the liver that is formed by hepatocytes and modified down stream by absorptive and secretory properties of the bile duct epithelium. In many species, bile is stored in the gallbladder and upon eating is discharged into the duodenum. aids the process of digestion of lipids in the small intestine bile salts function to emulsify dietary fats and facilitate their intestinal absorption elimination of cholesterol major excretory route for potentially harmful exogenous lipophilic substances many hormones and pheromones are excreted in bile, and contribute to growth and development of the intestine in some species and provide attractants for the weaning of non-human vertebrates protects the organism from enteric infections by excreting immune globulin A (IgA), inflammatory cytokines, and stimulating the innate immune system in the intestine BTO:0000121 CALOHA:TS-1172 ENVO:02000023 FMA:62971 GAID:1157 MA:0002513 MESH:D001646 UMLS:C0005388 galen:Bile uberon fel gall UBERON:0001970 bile UBERON:0001970 One of the minute vessels that collect deoxygenated blood from the capillary plexuses returns it to the veins Multi-tissue structure part of the blood vasculature formed by the anastomosis of capillaries. Venules carry blood toward the heart.[TAO] BTO:0002626 EMAPA:35917 FMA:63130 MA:0000071 MESH:A07.231.432.952 TAO:0005315 UMLS:C0042520 VHOG:0001765 ZFA:0005315 uberon venula UBERON:0001979 venule UBERON:0001979 The smallest division of the artery located between the muscular arteries and the capillaries[GO]. Multi-tissue structure part of the blood vasculature, feeds into capillaries. Arterioles carry blood away from the heart.[TAO] Small, terminal branch of an artery which generally connects to capillaries.[AAO] AAO:0010253 BTO:0001997 EMAPA:35146 FMA:63182 MA:0000063 MESH:D001160 TAO:0002138 UMLS:C0003847 VHOG:0001763 ZFA:0005255 uberon arteriola UBERON:0001980 arteriole UBERON:0001980 A vessel through which blood circulates in the body. consider adopting the EMAPA superclass 'vascular element', which includes microvasculature (e.g. capillaries), vascular plexus Any of the vessels through which blood circulates in the body. [XAO:0001011_][VHOG] Any of the vessels through which blood circulates in the body.[AAO] The appearance of Chordata and subsequently the vertebrates is accompanied by a rapid structural diversification of this primitive linear heart: looping, unidirectional circulation, an enclosed vasculature, and the conduction system.[well established][VHOG] annelids have blood vessels, but this class is not applicable to annelids. FMA:63183 Blood vessel is categorized as 'general anatomical term'. Suggestion to map to region of vascular tree from Terry H at JAX vascular element AAO:0011004 AEO:0000207 BTO:0001102 CALOHA:TS-0080 EFO:0000817 EHDAA2:0003252 EHDAA:240 EMAPA:32743 EMAPA:35993 FMA:50722 FMA:63183 GAID:169 MA:0000060 MAT:0000393 MESH:D001808 OpenCyc:Mx4rvVjxlpwpEbGdrcN5Y29ycA TAO:0002137 UMLS:C0005847 VHOG:0001250 XAO:0001011 ZFA:0005314 region of vascular tree organ vascular tree organ region uberon vas sanguineum UBERON:0001981 blood vessel UBERON:0001981 Any of the smallest blood vessels connecting arterioles with venules. not all sources agree capillary is a blood vessel - consider adopting EMAPA superclass of vascular element Any of the tiny blood vessels connecting the arterioles to the venules.[AAO] The appearance of Chordata and subsequently the vertebrates is accompanied by a rapid structural diversification of this primitive linear heart: looping, unidirectional circulation, an enclosed vasculature, and the conduction system.[well established][VHOG] capillaries lack tunica media and tunica adventitia; only the endothelial wall of the tunica intima belongs AAO:0010252 BTO:0002045 CALOHA:TS-2006 EFO:0001906 EMAPA:35198 EV:0100035 FMA:63194 MA:0000065 MESH:A07.231.432.410 OpenCyc:Mx4rvWEU-5wpEbGdrcN5Y29ycA TAO:0005250 UMLS:C0935624 VHOG:0001253 XAO:0000116 ZFA:0005250 blood capillary capillary vessel uberon UBERON:0001982 capillary UBERON:0001982 UBERON:0001988 Portion of semisolid bodily waste discharged through the anus[MW,modified] Excretion in semisolid state processed by the intestine.[FMA] fecal excreta BTO:0000440 CALOHA:TS-2345 ENVO:00002003 FMA:64183 GAID:1199 MA:0002509 MAT:0000053 MESH:D005243 MIAA:0000053 OpenCyc:Mx4rvVjJMZwpEbGdrcN5Y29ycA UMLS:C0015733 galen:Feces faeces fecal material fecal matter matières fécales@fr merde@fr partie de la merde@fr piece of shit porción de mierda@es portion of excrement portion of faeces portion of fecal material portion of fecal matter portion of feces portionem cacas stool teil der fäkalien@de cow dung cow pat dung fewmet frass guano portion of dung portion of guano portion of scat scat spraint uberon droppings excrement ordure spoor UBERON:0001988 feces A vein that conducts blood from the digestive organs, spleen, pancreas, and gallbladder to the liver[BTO]. BTO:0001792 CALOHA:TS-0814 EHDAA2:0001485 EHDAA:6510 EMAPA:17349 FMA:66645 GAID:540 MA:0002198 MESH:D011169 OpenCyc:Mx4rv_bem5wpEbGdrcN5Y29ycA UMLS:C0032718 VHOG:0000656 XAO:0000392 galen:PortalVein portal venous tree organ part uberon UBERON:0002017 portal vein UBERON:0002017 A nervous system structure composed primarily of nerve cell bodies (somas). May also include dendrites and the initial unmyelinated portion of axons. Multi-tissue comprised of neurons, dendrites, axon terminals, glial cells, and capillaries.[TAO] AEO:0001012 EHDAA2:0003136 EHDAA2_RETIRED:0004658 FMA:67242 HBA:4006 MA:0001112 OpenCyc:Mx4rwDdKMpwpEbGdrcN5Y29ycA TAO:0002197 UMLS:C0018220 VHOG:0001768 ZFA:0001681 gray matter gray matter of neuraxis grey matter grey matter of neuraxis grey substance neuronal grey matter substantia grisea uberon gray mater grisea UBERON:0002020 gray matter UBERON:0002020 The most posterior of the three principal regions of the brain. In mammals and birds the hindbrain is divided into a rostral metencephalon and a caudal myelencephalon. In zebrafish, with the exception of the cerebellum, the ventral remainder of the metencephalon can be separated only arbitrarily from the more caudal myelencephalic portion of the medulla oblongata (From: Neuroanatomy of the Zebrafish Brain)[ZFA]. Organ component of neuraxis that has as its parts the pons, cerebellum and medulla oblongata[FMA]. Posterior part of the brain consisting of the cerebellum and medulla oblongata.[AAO] The most posterior of the three principal regions of the brain, forming the rhombencephalon and all or most of the metencephalon. Kimmel et al, 1995.[TAO] relationship loss: develops_from hindbrain neural tube (TAO:0007043)[TAO] Fine structural, computerized three-dimensional (3D) mapping of cell connectivity in the amphioxus nervous system and comparative molecular genetic studies of amphioxus and tunicates have provided recent insights into the phylogenetic origin of the vertebrate nervous system. The results suggest that several of the genetic mechanisms for establishing and patterning the vertebrate nervous system already operated in the ancestral chordate and that the nerve cord of the proximate invertebrate ancestor of the vertebrates included a diencephalon, midbrain, hindbrain, and spinal cord.[well established][VHOG] rhombencephalic in MA, brainstem and hindbrain and part-of siblings under brain, consistent with FMA and NIF. See also notes for cerebellum. We weaken the relation in ABA to overlaps AAO:0010150 BAMS:HB BTO:0000672 CALOHA:TS-0457 DHBA:10653 DMBA:16808 EFO:0000923 EHDAA2:0000746 EHDAA:3514 EHDAA:6487 EMAPA:16916 FMA:67687 MA:0000195 MAT:0000107 MBA:1065 MESH:D012249 MIAA:0000107 TAO:0000029 UMLS:C0035507 UMLS:C1522180 VHOG:0000070 XAO:0000015 ZFA:0000029 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=540 uberon rhombencephalon UBERON:0002028 hindbrain UBERON:0002028 Muscle tissue that contains fibers that are divided by transverse bands into striations. Voluntary muscle tissue arranged in bundles of fibers.[AAO] AAO:0010762 AEO:0000140 CALOHA:TS-2047 EHDAA2:0003140 EMAPA:36390 FMA:67905 MA:0002438 OpenCyc:Mx4rwAoze5wpEbGdrcN5Y29ycA UMLS:C1331262 WBbt:0005779 galen:StriatedMuscle striated muscle uberon UBERON:0002036 striated muscle tissue UBERON:0002036 Part of the metencephalon that lies in the posterior cranial fossa behind the brain stem. It is concerned with the coordination of movement[MESH]. A large dorsally projecting part of the brain concerned especially with the coordination of muscles and the maintenance of bodily equilibrium, situated between the brain stem and the back of the cerebrum , and formed in humans of two lateral lobes and a median lobe[BTO]. Brain structure derived from the anterior hindbrain, and perhaps including posterior midbrain. The cerebellum plays a role in somatic motor function, the control of muscle tone, and balance[ZFA]. Dorsal part of the hindbrain that coordinates muscle movement, posture, and balance.[AAO] Specialized brain region derived from the dorsal metencephalon (anterior hindbrain, and perhaps including posterior midbrain) and becoming distinctive late in the segmentation period. Kimmel et al, 1995.[TAO] However, although the lamprey possesses a region comparable to the cerebellum and display expression of LjFgf8/17 at the MHB (midbrain hindbrain boundary), it does not have Purkinje cells and cerebellar nuclei, as well as components of the rhombic lip-derived cerebellar and pre-cerebellar systems. It is noteworthy that the latter structures require specific expression of Pax6 in the rhombic lip of the gnathostome hindbrain. Interestingly, the lamprey rhombic lip does not express Pax6. Thus, it is tempting to speculate that in vertebrate evolution the rostral hindbrain is incapable of differentiating into the cerebellum before the co-option of Pax6 in that region. In other words, cerebellum has been brought about as an evolutionary innovation in gnathostomes, based on exaptation of MHB, rhombic lip, and some regulatory gene expression already present in the vertebrate common ancestor.[well established][VHOG] cerebellar The absence of a cerebellum in hagfishes and lampreys appears to be the only exception [to the rule that vertebrates possess the same number of brain divisions]. Both hagfishes and lampreys do possess a thin band of cells located medial to the lateral line centers of the medulla (Ronan and Northcutt, 1998), which has been interpreted as a primitive cerebellum (Larsell, 1967), but more recent experimental studies (Kishida et al., 1987; Weigle and Northcutt, 1998) fail to support Larsell's claim[http://icb.oxfordjournals.org/content/42/4/743.full] almost all AOs agree that the cerebellum is part of the hindbrain (sometimes specifically part of the metencephalon, which, when present, is part of the hindbrain). However, ABA has cerebellum and brain stem as partof siblings, with the hindbrain part of the brainstem infratentorial region AAO:0010485 BAMS:CB BAMS:Cb BM:CB BTO:0000232 CALOHA:TS-0125 DHBA:10656 EFO:0000327 EHDAA2:0000232 EMAPA:17787 EV:0100293 FMA:67944 GAID:595 HBA:4696 MA:0000198 MAT:0000110 MBA:512 MESH:D002531 MIAA:0000110 OpenCyc:Mx4rvl1eipwpEbGdrcN5Y29ycA TAO:0000100 UMLS:C0007765 UMLS:C1268981 VHOG:0000024 XAO:0003098 ZFA:0000100 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=643 epencephalon-1 uberon corpus cerebelli parencephalon UBERON:0002037 cerebellum UBERON:0002037 An interconnected tubular multi-tissue structure contains fluid that is actively transported around the organism[ZFA]. Examples: vasculature of lung, vasculature of face. see also: vascular system. Consider merging? vascular BTO:0003718 FMA:69050 TAO:0005249 ZFA:0005249 vascular network uberon UBERON:0002049 vasculature UBERON:0002049 Anatomical structure that is part of an embryo. Anatomical structure that is part of the embryo and is comprised of portions of tissue or cells.[AAO] Anatomical structure that is part of the embryo and is comprised of portions of tissue or cells.[TAO] Anatomical structure that is part of the embryo and is comprised of portions of tissue or cells.[VSAO] in FMA embryo is_a embryonic structure AAO:0000138 BILA:0000034 BTO:0000174 CALOHA:TS-2110 EFO:0000461 FBbt:00004208 FMA:69067 GAID:407 MESH:D004628 RETIRED_EHDAA2:0003169 TAO:0001105 UMLS:C0013948 VSAO:0000178 XAO:0003042 ZFA:0001105 developing embryonic structure embryonic anatomical structure uberon developing structure embryonale Struktur embryonic structures UBERON:0002050 embryonic structure UBERON:0002050 The dermis is a layer of skin between the epidermis (with which it makes up the skin) and subcutaneous tissues, and is composed of two layers, the papillary and reticular dermis[WP]. Consider adding a layer-of-skin grouping class for all skin layers A collagenous layer of the skin subjacent to the epidermis and covering the hypodermis. It contains various types of cells (e.g. fibroblasts, pigment cells, nerve, blood vessels and scales. Le Guellec et al, 2004.[TAO] When approaching controversies surrounding skin evolution, we need to remember that the skin consists of two layers, an epidermis and a dermis, not a single evolving structure. (...) It is little wonder that controversies about homology exist. If we think of the epidermis, the dermis, and their interactions as an evolving unit, then their specialized products (hair, feathers, and reptilian scales) are broadly homologous.[well established][VHOG] dermal AAO:0000128 BTO:0000294 CALOHA:TS-2076 EFO:0000953 EMAPA:17527 EV:0100154 FMA:70323 GAID:1321 MA:0000152 MAT:0000153 MESH:D020405 MIAA:0000153 TAO:0001119 UMLS:C0011646 VHOG:0000108 XAO:0000217 ZFA:0001119 vertebrate dermis uberon corium cutis UBERON:0002067 dermis UBERON:0002067 Lowermost layer of the integumentary system in vertebrates. Types of cells that are found in the hypodermis are fibroblasts, adipose cells, and macrophages. It is derived from the mesoderm, but unlike the dermis, it is not derived from the dermatome region of the mesoderm. The hypodermis is used mainly for fat storage[WP]. A layer separating the inner face of the dermis from the subjacent muscle cells. It is covered on both sides by a basement membrane. It contains pigment cells. Le Guellec et al, 2004.[TAO] A layer separating the inner face of the dermis from the subjacent muscle cells. It is covered on both sides by a basement membrane. It contains pigment cells[FMA:70544]. hypodermal subcutaneous subcutaneus BTO has 'subcutis', as part of dermis. We follow FMA in having distinct classes for hypodermis and superficial fascia, and including these as part of the non-skin intgeument. BTO:0001314 CALOHA:TS-2366 FMA:70544 TAO:0001136 UMLS:C0278403 ZFA:0001136 hypoderm vertebrate hypodermis uberon sub-tegumental tissue subcutaneous tissue subcutis subtegumental tissue superficial fascia tela subcutanea UBERON:0002072 hypodermis UBERON:0002072 An organ that is located within the body cavity (or in its extension, in the scrotum); it consists of organ parts that are embryologically derived from endoderm, splanchnic mesoderm or intermediate mesoderm; together with other organs, the viscus constitutes the respiratory, gastrointestinal, urinary, reproductive and immune systems, or is the central organ of the cardiovascular system. Examples: heart, lung, esophagus, kidney, ovary, spleen. An internal organ of the body; especially: one (as the heart, liver, or intestine) located in the great cavity of the trunk proper.[AAO] general anatomical term in FMA. Note that we place the MA class here temporarily, although properly systems should be distinguished from organs. AAO:0010386 BTO:0001491 EHDAA:512 EMAPA:16245 FMA:7085 MA:0000019 MESH:D014781 RETIRED_EHDAA2:0002201 UMLS:C0042779 XAO:0003034 visceral organ visceral organ system uberon Organsystem@ge splanchnic tissue viscera visceral tissue UBERON:0002075 viscus UBERON:0002075 The post-cranial subdivision of skeleton structural components forming the long axis of the vertebrate body; in Danio, consisting of the notochord, vertebrae, ribs, supraneurals, intermuscular bones, and unpaired median fins; in human consists of the bones of the vertebral column, the thoracic cage and the pelvis[ZFA+FMA]. Skeletal subdivision of the central body axis including vertebrae, notochord, ribs, and sternum.[VSAO] The axial skeleton is formed by the vertebral column, a metameric, semi-flexible, arched bar located in the dorsal part of the trunk, and is formed by a series of cartilaginous or bony vertebrae. It provides suspension for the appendicular skeleton and protection for the spinal nerve cord.[AAO] The post-cranial structural components forming the long axis of the vertebrate body; usually consists of the notochord, vertebrae, ribs, supraneurals, intermuscular bones, and unpaired median fins.[TAO] The axial musculoskeletal system represents the plesiomorphic locomotor engine of the vertebrate body, playing a central role in locomotion. In craniates, the evolution of the postcranial skeleton is characterized by two major transformations. First, the axial skeleton became increasingly functionally and morphologically regionalized. Second, the axial-based locomotion plesiomorphic for craniates became progressively appendage-based with the evolution of extremities in tetrapods.[well established][VHOG] axial skeleton AAO:0000034 EFO:0000942 EHDAA2:0000161 EHDAA:5049 EMAPA:17214 FMA:71221 MA:0002986 MAT:0000148 MIAA:0000148 TAO:0000317 VHOG:0000317 VSAO:0000093 XAO:0003073 ZFA:0000317 post-cranial axial skeleton uberon UBERON:0002090 previous some AOs had used the term 'axial skeleton' to include the skull. This is being resolved (see tracker items above). Status: MA - fixed. postcranial axial skeleton http://purl.obolibrary.org/obo/uberon/docs/The-axial-skeleton UBERON:0002090 Subdivision of skeleton which which consists of all the skeletal elements in in the pectoral and pelvic appendage complexes[cjm]. Skeletal subdivision consisting of all the skeletal elements in the pectoral and pelvic appendage complexes.[VSAO] Skeletal system that consists of the paired fins (pectoral or pelvic fins).[TAO] The pectoral and pelvic girdles, which articulate with the axial skeleton, together with their associated limbs, the forelimbs and hind limbs, form the appendicular skeleton.[AAO] ontologies differ in whether they treat the term appendicular skeleton as being the entire set of bones in the limbs, or whether the fore and hind limbs/fins are treated as seperate appendicular skeletons. Here we follow FMA, and treat the appendicular skeleton as the sum total of skeletal elements in the organism (this is evidenced by the fact that in FMA, skeleton of left/right upper/lower limb is part_of a appendicular skeleton, and subtypes of 'subdivision of appendicular skeleton'). We have separate classes such as 'skeleton of limb', and 'skeleton of hindlimb' for the 4 parts of the appendicular skeleton. In future the ZFA/TAO classes may be moved. AAO:0000747 EFO:0000951 EMAPA:32729 FMA:71222 MA:0000290 MAT:0000278 MIAA:0000278 UMLS:C0222646 VHOG:0001666 VSAO:0000076 XAO:0003166 appendicular skeleton entire appendicular skeleton paired fin skeleton uberon skeleton appendiculare UBERON:0002091 appendicular skeleton https://github.com/obophenotype/uberon/wiki/Appendages-and-the-appendicular-skeleton UBERON:0002091 The organ covering the body that consists of the dermis and epidermis. consider 'integumentary system' for invertebrates MA uses the term skin to refer to what is called here: zone of skin BTO:0001253 CALOHA:TS-0934 EFO:0000962 EHDAA2:0001844 EMAPA:17525 FMA:7163 MESH:D012867 MFMO:0000099 OpenCyc:Mx4rvVjX3ZwpEbGdrcN5Y29ycA UMLS:C1123023 XAO:0000023 galen:Skin entire skin skin organ uberon entire integument integument integumental organ pelt skin UBERON:0002097 skin of body UBERON:0002097 Organism subdivision which is the part of the body posterior to the cervical region (or head, when cervical region not present) and anterior to the caudal region. Includes the sacrum when present. Organism subdivision that is the part of the body posterior to the head and anterior to the tail.[AAO] Organism subdivision which is the part of the body posterior to the head and anterior to the tail.[TAO] AAO:0010339 BILA:0000116 BTO:0001493 CALOHA:TS-1071 EFO:0000966 EMAPA:31857 FMA:7181 MA:0000004 MAT:0000296 MIAA:0000296 OpenCyc:Mx4rvVkJjpwpEbGdrcN5Y29ycA TAO:0001115 UMLS:C0460005 XAO:0000054 XAO:0003025 ZFA:0001115 galen:Trunk thoracolumbar region torso trunk region uberon Rumpf UBERON:0002100 trunk UBERON:0002100 A paired appendage that is evolved from a paired fin. The extent of this structure includes autopod, stylopod and zeugopod regions when present, but excludes the girdle and its parts. Organism subdivision that has as its parts the jointed appendages used for locomotion and manipulation.[AAO] Most anatomists now agree that the three proximal bones of the tetrapod limbs are homologous to the two or three proximal elements of the paired fin skeleton of other sarcopterygians, that is the humerus-femur, radius-tibia, and ulna-fibula.[well established][VHOG] AAO:0010336 AEO:0000172 CALOHA:TS-0552 EFO:0000876 EHDAA2:0003172 EHDAA:1697 EHDAA:8273 EMAPA:16405 FMA:24875 GAID:36 MA:0000007 MAT:0000090 MIAA:0000090 OpenCyc:Mx4rvn1uSZwpEbGdrcN5Y29ycA UMLS:C0015385 VHOG:0000336 VSAO:0000121 XAO:0003027 galen:Extremity free limb limb sensu vertebrata pentadactyl limb tetrapod limb flipper uberon extremities extremity UBERON:0002101 limb UBERON:0002101 The sensory system subserving the sense of vision. The sensory system used for sight.[AAO] UBERON:0007036 AAO:0000632 BILA:0000140 EMAPA:36003 FMA:7191 MA:0002444 OpenCyc:Mx4rvViCtpwpEbGdrcN5Y29ycA TAO:0001127 UMLS:C0587900 XAO:0003198 ZFA:0001127 photosensory system visual organ system uberon UBERON:0002104 visual system UBERON:0002104 Sensory system responsible for the perception of spatial orientation and auditory stimuli. The sensory system used for balance and hearing.[AAO] AAO:0000631 EMAPA:36002 FMA:78500 TAO:0001138 XAO:0003195 ZFA:0001138 auditory organ system vestibuloauditory system uberon auditory system auditory/vestibular system vestibuloauditory system UBERON:0002105 vestibulo-auditory system UBERON:0002105 An exocrine gland which secretes bile and functions in metabolism of protein and carbohydrate and fat, synthesizes substances involved in the clotting of the blood, synthesizes vitamin A, detoxifies poisonous substances, stores glycogen, and breaks down worn-out erythrocytes[GO]. Organ which secretes bile and participates in formation of certain blood proteins.[AAO] relationship type change: differentiates_from endoderm (AAO:0000139) CHANGED TO: develops_from endoderm (UBERON:0000925)[AAO] All vertebrates possess a liver (reference 1); Later in craniate evolution, an anterior gill arch was transformed into jaws, and many new types of feeding subsequently evolved.(...) A liver evolved that, among its many functions, stores considerable energy as glycogen or lipid (reference 2).[well established][VHOG] hepatic An organ sometimes referred to as a liver is found associated with the digestive tract of the primitive chordate Amphioxus. However, this is an enzyme secreting gland, not a metabolic organ, and it is unclear how truly homologous it is to the vertebrate liver. The zebrafish liver differs from the mammalian liver in that the hepatocytes are not clearly organized in cords or lobules and the typical portal triads are not apparent. In addition, the zebrafish liver does not have Kuppfer cells. Furthermore, a clear distinction can be made between the male and female liver in the adult zebrafish. The female hepatocytes are very basophilic (Figure 15c) as a result of the production of vitellogenin (Van der Ven et al. 2003). The liver is found in all vertebrates, and is typically the largest visceral organ. Its form varies considerably in different species, and is largely determined by the shape and arrangement of the surrounding organs. Nonetheless, in most species it is divided into right and left lobes; exceptions to this general rule include snakes, where the shape of the body necessitates a simple cigar-like form. The internal structure of the liver is broadly similar in all vertebrates. secretes bile and functions in metabolism of protein and carbohydrate and fat, synthesizes substances involved in the clotting of the blood, synthesizes vitamin A, detoxifies poisonous substances, stores glycogen, and breaks down worn-out erythrocytes[GO]. Only ZFA considers this part_of immune system - we weaken this to an overlaps relation, as in general it's only a subset of cells that have clear immune function. AAO:0010111 BTO:0000759 CALOHA:TS-0564 EFO:0000887 EHDAA2:0000997 EHDAA:2197 EMAPA:16846 EV:0100089 FMA:7197 GAID:288 MA:0000358 MAT:0000097 MESH:D008099 MIAA:0000097 OpenCyc:Mx4rvVimppwpEbGdrcN5Y29ycA TAO:0000123 UMLS:C0023884 VHOG:0000257 XAO:0000133 ZFA:0000123 galen:Liver uberon iecur jecur UBERON:0002107 liver UBERON:0002107 Subdivision of digestive tract that connects the stomach to the large intestine and is where much of the digestion and absorption of food takes place (with the exception of ruminants). The mammalian small intestine is long and coiled and can be differentiated histologically into: duodenum, jejunem, ileum[WP,cjm,Kardong]. The terminal region of the mid intestine is comprised of specialized enterocytes that appear to play a role in mucosal immunity. Wallace et al, 2005.[TAO] Intestinal surface area also is increased in amphibians and reptiles by internal folds and occasionally by a few villi. The intestine can be divided into a small intestine and a slightly wider large intestine.[well established][VHOG] AAO:0010397 BTO:0000651 CALOHA:TS-0942 EFO:0000841 EMAPA:32834 EV:0100072 FMA:7200 GAID:313 MA:0000337 MAT:0000047 MESH:A03.492.411.620 MIAA:0000047 OpenCyc:Mx4rvVjlIJwpEbGdrcN5Y29ycA TAO:0001323 UMLS:C0021852 VHOG:0000055 XAO:0000130 ZFA:0001323 galen:SmallIntestine small bowel small intestine uberon anterior intestine intestinum tenue mid intestine UBERON:0002108 small intestine UBERON:0002108 An organ that aids digestion and stores bile produced by the liver[WP]. Membranous muscular sac in which the bile from the liver remains stored until it is required. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] Organ attached to the liver which stores bile and empties into the duodenum via the bile duct as needed for digestion.[AAO] relationship type change: differentiates_from endoderm (AAO:0000139) CHANGED TO: develops_from endoderm (UBERON:0000925)[AAO] The presence of a gallbladder appears to be a primitive trait. It is found in most fish and all adult reptiles and amphibians and has been well conserved in mammals, for the most part.[well established][VHOG] AAO:0010114 BTO:0000493 CALOHA:TS-0394 EFO:0000853 EHDAA2:0000699 EHDAA:8062 EMAPA:17202 EV:0100090 FMA:7202 MA:0000356 MAT:0000072 MESH:D005704 MIAA:0000072 OpenCyc:Mx4rvVkGr5wpEbGdrcN5Y29ycA TAO:0000208 UMLS:C0016976 VHOG:0000221 XAO:0000135 ZFA:0000208 galen:Gallbladder gall bladder gallbladder uberon vesica biliaris vesica fellea UBERON:0002110 Rats do not have a gallbladder, but produce bile. The bile flows directly from the liver through the (hepatic) bile duct into the small intestine (Hebel and Stromberg, 1988) gall bladder UBERON:0002110 A paired organ of the urinary tract which has the production of urine as its primary function. One of either of a pair of structures lying on either side of the dorsal aorta in which fluid balance is regulated and waste is excreted out in the form of urine.[AAO] renal AAO:0000250 BTO:0000671 CALOHA:TS-0510 EFO:0000929 EMAPA:17373 EV:0100096 FMA:7203 GAID:423 MA:0000368 MAT:0000119 MESH:D007668 MIAA:0000119 OpenCyc:Mx4rvVjlYpwpEbGdrcN5Y29ycA UMLS:C0022646 XAO:0003267 galen:Kidney reniculate kidney uberon UBERON:0002113 kidney UBERON:0002113 The first part of the small intestine. At the junction of the stomach and the duodenum the alimentary canal is inflected. The duodenum first goes anteriorly for a short distance, turns dorsally, and eventually caudally, thus it is a U-shaped structure with two horizontal sections (a ventral and a dorsal one). The fixed portion of the small intestine deeply lodged in the posterior wall of the abdomen and extending from the pylorus to the beginning of the jejunum. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] duodenal In fish, the divisions of the small intestine are not as clear, and the terms anterior intestine or proximal intestine may be used instead of duodenum. In humans, the duodenum is a hollow jointed tube about 10-15 inches (25-38 centimetres) long connecting the stomach to the jejunum. It begins with the duodenal bulb and ends at the ligament of Treitz. AAO:0010402 BTO:0000365 CALOHA:TS-0214 EFO:0000851 EMAPA:18852 EV:0100073 FMA:7206 GAID:284 MA:0000338 MAT:0000044 MESH:A03.492.411.620.270 MIAA:0000044 OpenCyc:Mx4rv4LJDpwpEbGdrcN5Y29ycA UMLS:C0013303 VHOG:0000052 XAO:0000236 galen:Duodenum uberon proximal intestine upper intestine UBERON:0002114 duodenum UBERON:0002114 In mammals, the pronephros is the first of the three embryonic kidneys to be established and exists only transiently. In lower vertebrates such as fish and amphibia, the pronephros is the fully functional embryonic kidney and is indispensible for larval life[GO]. A kidney formed of nephric tubules arising in the anterior region of the nephric ridge; forms only as a transient embryonic structure. [Evolution, Fourth_Edition_(2006)_McGraw-Hill, Function, Kardong_KV, Vertebrates:_Comparative_Anatomy, p.748][VHOG] Organ that serves as a transient kidney, providing osmoregulation during early developmental stages and then degenerating during metamorphosis.[AAO] The embryonic kidney, present at the level of the third somite, is composed of two glomeruli fused at the midline, two pronephric tubules, and paired bilateral pronephric ducts that modify the composition of the blood filtrate before delivering it to the cloaca for excretion.Kimmel et al, 1995.[TAO] In all vertebrate embryos, the kidney begins with the differentiation of a few renal tubules from the anterior end of the nephric ridge overlying the pericardial cavity. (...) This early-developing embryonic kidney is called the pronephros.[well established][VHOG] pronephric UBERON:0005794 AAO:0011089 BTO:0001541 EFO:0000927 EHDAA2:0001570 EHDAA:1017 EMAPA:16579 FMA:72170 MAT:0000117 MIAA:0000117 TAO:0000151 UMLS:C0231048 VHOG:0000037 XAO:0002000 ZFA:0000151 pronephric kidney uberon archinephron embryonic kidney pronephron UBERON:0002120 Once the more complex mesonephros forms the pronephros undergoes apoptosis in amphibians. In fishes the nephron degenerates but the organ remains and becomes a component of the immune system[Wikipedia:Pronephros]. // TODO - check developmental relationships. Note that we previously include the ZFA/XAO terms under the more specific 'pronephric kidney', but these are now merged. TODO GCI: relationship: capable_of GO:0030104 pronephros UBERON:0002120 Anatomical cluster consisting of the hematopoietic system and the lymphoid system, or its analogs. CALOHA:TS-2018 EHDAA2:0004615 EMAPA:18765 FMA:74562 MA:0000013 hematolymphoid system lymphomyeloid complex uberon haemolymphoid system UBERON:0002193 hemolymphoid system UBERON:0002193 The dermis, epidermis and hypodermis. in FMA intergument = skin+superficial fascia(hypodermis), skin=dermis+epidermis+hair_nail. Note that the definition provided here excludes the more general sense of the term 'integument' used in invertebrates; consider 'integumental system'. Note that the VSAO class appears to include adnexa by its definition. Anatomical system that protects the body from damage, comprising the skin and its appendages.[AAO] Surface structure that is the outer protective covering of the body.[VSAO] The outer protective barrier that separates the animal from its aquatic environment. Le Guellec et al, 2004.[TAO] integumental integumentary AAO:0000239 BTO:0000634 FMA:74657 TAO:0000368 VSAO:0000029 ZFA:0000368 galen:Integument dermis plus epidermis plus hypodermis integumentum commune skin and subcutaneous tissue skin plus hypodermis the integument uberon Hautsystem@de dermal system dermoid system skin tegument vertebrate integument UBERON:0002199 integument UBERON:0002199 Vasculature that is part of a head [Automatically generated definition]. EFO:0003656 FMA:74710 TAO:0001267 XAO:0004152 ZFA:0001267 adult head vascular network adult head vasculature cranial vasculature head vascular network vascular network of adult head vascular network of head vasculature of adult head uberon head vasculature UBERON:0002200 vasculature of head UBERON:0002200 Vasculature that is part of the eye region. not part of the eye in ZFA. Note this changed to a blood vessel in ZFA FMA:74743 TAO:0007057 ZFA:0007057 eye vascular network ocular blood vessel ocular vasculature vascular network of eye uberon eye vasculature optic vasculature UBERON:0002203 vasculature of eye UBERON:0002203 Anatomical system that consists of the muscular and skeletal systems. Anatomical system that provides locomotion and physical support to the organism.[AAO] There are more than 50,000 extant vertebrate species, representing over 500 million years of evolution. During that time, the vertebrate musculoskeletal systems have adapted to aquatic, terrestrial, fossorial, and arboreal lifestyles, while simultaneously retaining functionally integrated axial and appendicular skeletal systems.[well established][VHOG] musculoskeletal AAO:0010546 CALOHA:TS-1311 EMAPA:32714 EV:0100139 FMA:7482 GAID:98 MA:0002418 MESH:D009141 OpenCyc:Mx4rQRpVNgAKEdyHxgDggVfs8g UMLS:C0026860 VHOG:0001275 VSAO:0000031 XAO:0000168 musculo-skeletal system uberon UBERON:0002204 musculoskeletal system UBERON:0002204 Joint in which the articulating bones or cartilages are connected by an articular capsule which encloses a synovial membrane and a synovial cavity. Examples: Temporomandibular joint, knee joint.[FMA] Is a joint that is located at the point of contact of articulating bones allowing movement. The joint has a capsule containing synovial fluid surrounding the articulating bone surfaces.[TAO] AEO:0000183 CALOHA:TS-2138 EHDAA2:0003183 FMA:7501 MA:0000322 OpenCyc:Mx4rv2bBV5wpEbGdrcN5Y29ycA TAO:0005153 ZFA:0005153 galen:SynovialJoint articulatio synoviale diarthroses diarthrosis diarthrosis joint uberon diarthrodial joints UBERON:0002217 synovial joint UBERON:0002217 The part of the coelemic cavity lumen that is enclosed by the walls of the thorax. In many species, the diaphragm separates thoracic and abdominal cavities EMAPA:36497 FMA:7565 GAID:93 MA:0000032 MESH:A01.911.800 OpenCyc:Mx4rmvyleLfEEduAAAACs6hRXg OpenCyc:Mx4rvhU_TpwpEbGdrcN5Y29ycA UMLS:C0230139 cavitas thoracis cavity of chest cavity of thorax chest cavity pectoral cavity space of thoracic compartment thoracic lumen uberon UBERON:0002224 thoracic cavity UBERON:0002224 Part of the central nervous system located in the vertebral canal continuous with and caudal to the brain; demarcated from brain by plane of foramen magnum. It is composed of an inner core of gray matter in which nerve cells predominate, and an outer layer of white matter in which myelinated nerve fibers predominate, and surrounds the central canal. (CUMBO) TODO - add superclass to unify with VNC? Part of the central nervous system which descends from the hindbrain within the vertebral column.[AAO] (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...) (reference 1); The neural tube is destined to differentiate into the brain and spinal cord (the central nervous system) (reference 2).[well established][VHOG] AAO:0010151 BAMS:SP BAMS:Spinal BM:SpC BTO:0001279 CALOHA:TS-0953 DHBA:12890 DMBA:17651 EFO:0000110 EHDAA2:0001255 EHDAA:2863 EMAPA:17577 EV:0100316 FMA:7647 GAID:695 MA:0000216 MAT:0000183 MESH:D013116 MIAA:0000183 OpenCyc:Mx4rvVjjk5wpEbGdrcN5Y29ycA TAO:0000075 UMLS:C0037925 VHOG:0000601 XAO:0000020 ZFA:0000075 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=22 uberon SpC cerebro-cerebellar fissure cerebrocerebellar fissure fissura cerebro-cerebellaris fissura cerebrocerebellaris medulla spinalis spinal cord structure spinal medulla UBERON:0002240 spinal cord UBERON:0002240 Organ system subdivision that consists of the organs and ducts that are involved in the production and transportation of bile. In most species this is the gallbladder and the bile ducts (biliary tree). FMA:79646 GAID:279 MA:0001273 MESH:D001659 biliary apparatus uberon biliary tract UBERON:0002294 biliary system UBERON:0002294 Stalk-like part of the brain that includes amongst its parts the medulla oblongata of the hindbrain and the tegmentum of the midbrain[ZFA,MP,generalized]. Multi-tissue structure that has as its parts the medulla oblongata of the hindbrain and the tegmentum of the midbrain.[TAO] Multi-tissue structure that has as its parts the medulla oblongata of the hindbrain and the tegmentum of the midbrain[ZFA,adopted][ZFA:0001707]. the stalk-like part of the brain that comprises the midbrain (aka mesencephalon), the pons (aka pons Varolii), and the medulla oblongata, and connects the cerebral hemispheres with the cervical spinal cord[MP] BAMS:BS BTO:0000146 CALOHA:TS-0093 EFO:0001962 EMAPA:32678 EV:0100241 FMA:79876 MA:0000169 MBA:343 MESH:D001933 TAO:0002156 UMLS:C0006121 VHOG:0001457 ZFA:0001707 http://braininfo.rprc.washington.edu/centraldirectory.aspx?ID=236 brain stem truncus encephali uberon accessory medullary lamina of pallidum lamella pallidi incompleta lamina medullaris accessoria lamina medullaris incompleta pallidi lamina pallidi incompleta truncus encephalicus UBERON:0002298 'brainstem' is a loose term that sometimes refers to the ventral parts o the brain except for any part of the telencephalon - sometimes it includes the diencephalon or subpallial telencephalon structures (ISBN10:0471888893). Here we use it in a more restriced sense, to include only the medulla oblongata, pons (when present) and the midbrain tegmentum (following the ZFA definitions). brainstem UBERON:0002298 The cavity within the body of all animals higher than the coelenterates and certain primitive worms, formed by the splitting of the embryonic mesoderm into two layers. In mammals it forms the peritoneal, pleural, and pericardial cavities. check the FMA placement here; ncit placement of body cavity here probably not correct Anatomical space, part of the trunk that contains the pericardial and pleuroperitoneal cavities[ZFA]. The cavity within the body of all animals higher than the coelenterates and certain primitive worms, formed by the splitting of the embryonic mesoderm into two layers. In mammals it forms the peritoneal, pleural, and pericardial cavities[BTO]. In mammals it forms the peritoneal, pleural, and pericardial cavities UBERON:0000169 body cavity AEO:0000186 BTO:0001707 EHDAA2:0000267 FBbt:00005060 FMA:85006 RETIRED_EHDAA2:0003186 TAO:0001438 UMLS:C0333343 ZFA:0001438 galen:BodyCavity coelomic cavity coelomic cavity lumen main body cavity space of body compartment ventral body cavity uberon celom coelom coelome hemocoel UBERON:0002323 coelemic cavity lumen UBERON:0002323 A flexible rod-shaped body found in embryos of all chordates. It is composed of cells derived from the mesoderm and defines the primitive axis of the embryo. In some chordates, it persists throughout life as the main axial support of the body, while in most vertebrates it becomes the nucleus pulposus of the intervertebral disc. The notochord is found ventral to the neural tube. Avascular multi-tissue structure composed of large vacuolated epithelial cells (chordablasts) and perichordal fibrous tissue.[VSAO] Rod-like principal supportive element of the embryo and larva, present in the midline just ventral to the neural tube, and differentiating during the segmentation period to form large vacuolated epithelial cells and a surrounding a sheath of fibrous and elastic layers. Layering of the sheath may differ in structure, thickness and development among groups; in cypriniforms there are actually three very thin layers to the sheath. A functional, well developed notochord is present throughout life in certain basal fish groups but not in cypriniforms. Kimmel et al, 1995.[TAO] Slender rod of fibrous connective tissue surrounding a core of fluid-filled cells of mesodermal origin; it lies above the gut and directly beneath the spinal cord. The notochord is present during early development and in a few cases it is retained through life; however, usually the notochord is replaced by the vertebral column.[AAO] relationship type change: differentiates_from mesoderm (AAO:0000304) CHANGED TO: develops_from mesoderm (UBERON:0000926)[AAO] (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (3) a stiff, longitudinal rod of turgid cells along the dorsal part of the body that is called a notochord (...).[well established][VHOG] notochordal In between vertebra the notochord becomes the nucleus pulposus, under it degenerates, and at anterior end in some species its tissue merges with some of the cranial bones.. Some organisms retain a post-embryonic notochord. AAO:0000327 BTO:0001768 CALOHA:TS-0690 EHDAA2:0001277 EHDAA:1241 EHDAA:6021 EMAPA:16191 EV:0100002 FMA:85521 GAID:1311 MAT:0000281 MESH:A16.254.610 TAO:0000135 UMLS:C0028439 VHOG:0000199 VSAO:0000032 XAO:0000055 ZFA:0000135 embryonic notocord notocord uberon notochorda UBERON:0002328 The notochord appears early in embryogeny and plays an important role in promoting or organizing the embryonic development of nearby structures. In most adult chordates the notochord disappears or becomes highly modified. In some non-vertebrate chordates and fishes the notochord persists as a laterally flexible but incompressible skeletal rod that prevents telescopic collapse of the body during swimming[TOLWEB] notochord UBERON:0002328 Somites are spheres of epithelial cells that form sequentially along the anterior-posterior axis of the embryo through mesenchymal to epithelial transition of the presomitic mesoderm. currently classified as an epithelial vesicle, consistent with EHDAA2 and https://github.com/obophenotype/uberon/wiki/The-neural-crest. Consider making 'somitic mesoderm' a separate term and correlate with regionalization processes. Consider moving ZFA term to 'trunk somite' as it is part of the trunk Post-cranial axial segments which form sclerotome and dermomyotome.[AAO] Undifferentiated mesodermal components of early trunk or tail segments or metameres, derived from paraxial mesoderm; forms myotomes, sclerotomes and perhaps dermatomes. Kimmel et al, 1995.[TAO] relationship loss: develops_from paraxial mesenchyme (TAO:0000942)[TAO] relationship type change: OBO_REL:part_of trunk (TAO:0001115) CHANGED TO: develops_from trunk (UBERON:0002100)[TAO] relationship type change: part_of paraxial mesoderm (AAO:0010568) CHANGED TO: develops_from paraxial mesoderm (UBERON:0003077)[AAO] (...) cephalocordates and craniates belong to a group known as Somitichordata. Somitichordate synapomorphies include (1) somites (...) (reference 1); The idea that the last common ancestor of bilaterian animals (Urbilateria) was segmented has been raised recently on evidence coming from comparative molecular embryology (reference 2).[well established][VHOG] somitic mesodermal cluster AAO:0010569 AEO:0001015 BTO:0001558 EHDAA2:0003436 EHDAA:366 EHDAA:699 EMAPA:31169 FMA:85522 GAID:1306 MAT:0000068 MESH:A16.254.425.660.750 MIAA:0000068 TAO:0000155 UMLS:C0376449 VHOG:0000191 XAO:0000058 ZFA:0000155 uberon epimere epimere mesoderm epithelial somite somites somitic mesoderm somitus UBERON:0002329 When the somite becomes segmented from the segmental plate, it is composed of an epithelial sac enclosing mesenchymal somitocoel cells. Thereafter the somite differentiates into two parts, the ventro-medial mesenchymal sclerotome and the dorso-lateral epithelial dermomyotome. This change in the epithelial somite depends on surrounding tissue [PMID:15906248] somite UBERON:0002329 Anatomical system that consists of the glands and parts of glands that produce exocrine secretions and help to integrate and control bodily metabolic activity. Exocrine glands are glands that secrete their products (hormones) into ducts (duct glands). They are the counterparts to endocrine glands, which secrete their products (hormones) directly into the bloodstream (ductless glands) or release hormones (paracrines) that affect only target cells nearby the release site. [Wikipedia]. CALOHA:TS-2057 EHDAA2:0002225 EMAPA:35329 FMA:85539 MA:0002411 UMLS:C1516995 WikipediaCategory:Exocrine_system exocrine glandular system uberon UBERON:0002330 exocrine system UBERON:0002330 A specialized region of ectoderm found between the neural ectoderm (neural plate) and non-neural ectoderm and composed of highly migratory pluripotent cells that delaminate in early embryonic development from the dorsal neural tube and give rise to an astounding variety of differentiated cell types[MP]. consider including subclasses for pre- and post- migratory (e.g. sheets/paths/streams). A cell population arising from the dorsolateral aspect of the central nervous system primordium during the segmentation period, and later migrating along stereotyped pathways to give rise to a diverse and well-defined set of cell types including pigment cells, peripheral neurons and glia, and head cartilage. Kimmel et al, 1995.[TAO] Migratory cell population which delaminates from neural tube, borders surface ectoderm and neural ectoderm, and gives rise to many different tissue types.[AAO] A well developed neural crest population is present in lampreys (Horigome et al. 1999 ; Tomsa & Langeland, 1999) and gnathostomes. chordate fossils from the early Cambrian (Yunnanozoan and Haikouella) with apparent neural-crest derived structures (pharyngeal denticles and pharyngeal skeletons resembling the striped mucocartilage of the branchial bars in lamprey ammocoete larvae), suggests that neural crest arose very early in vertebrate evolution (Chen et al. 1999; Holland & Chen, 2001). The invertebrate chordates apparently lack defini- tive neural crest. One marker of migrating neural crest in some vertebrates, the antibody HNK1, does not recognize any cells in amphioxus embryos (Holland, unpublished). Even so, in both amphioxus and tunicates, cells at the edges of the neural plate and adjacent nonneural ectoderm share some properties of neural crest[PMID:11523831] We conclude that the neural crest is a vertebrate novelty, but that neural crest cells and their derivatives evolved and diversified in a step-wise fashion - first by elaboration of neural plate border cells, then by the innovation or co-option of new or ancient metazoan cell fates.[well established][VHOG] AAO:0010578 BTO:0001764 CALOHA:TS-0676 EHDAA2:0004419 EMAPA:32737 FMA:86666 GAID:1310 MAT:0000066 MESH:A16.254.600 MIAA:0000066 TAO:0000045 UMLS:C0027789 VHOG:0000057 XAO:0000048 ZFA:0000045 NC uberon crista neuralis neural crest material UBERON:0002342 Gene notes: Many factors and genes, such as Pax3 (Tremblay et al., 1995), slug (Nieto et al., 1994), AP-2 (Zhang et al., 1996; Schorle et al., 1996), and Wnt-1/3a (Ikeya et al., 1997) are expressed in the dorsal most region of the neural tube, and have been shown to be involved in the generation of neural crest cells. neural crest UBERON:0002342 Embryonic ectoderm that gives rise to nervous tissue. (...) the ability of ectoderm to produce neuronal cells is a general metazoan feature.[well established][VHOG] neurectodermal we prefer neurectoderm to neural ectoderm since placodal ectoderm is not classified here AAO:0011074 BILA:0000039 CALOHA:TS-1212 EHDAA2:0001248 EHDAA:1498 EHDAA:255 EMAPA:16073 EV:0100004 FBbt:00001061 FMA:87657 MAT:0000176 MIAA:0000176 TAO:0001120 UMLS:C1518271 VHOG:0000150 XAO:0000042 ZFA:0001120 neural ectoderm neuroectoderm uberon epithelium tubi neuralis; neuroectoderma neuaral ectoderm presumptive central nervous system ventral neurogenic region UBERON:0002346 neurectoderm UBERON:0002346 The lower segment of the trunk, inferioposterior to the abdomen proper, in the transition area between the trunk and the lower limbs. pelvic MA and FMA differ in what they consider to be parts of the pelvis. MA includes ureter, urethra, urinary bladder, reproductive organs BTO:0001006 CALOHA:TS-2227 EFO:0002805 EMAPA:35931 EV:0100012 FMA:9578 GAID:87 MA:0000030 MESH:A01.673 OpenCyc:Mx4rvVjiTJwpEbGdrcN5Y29ycA UMLS:C0030797 galen:Pelvis lesser pelvis pelvic region pelvis pelvis region true pelvis uberon UBERON:0002355 pelvic region of trunk UBERON:0002355 A gland that secretes products (excluding hormones and other chemical messengers) into ducts (duct glands) which lead directly into the external environment[WP]. Typical exocrine glands include sweat glands, salivary glands, mammary glands, stomach, liver, pancreas Currently this is logically defined by the system it belongs to, but a better system may be base this on presence/absence of ducts. However, the dual nature of the liver should be taken into consideration here. Consider adding subclasses AEO:0000097 BTO:0000765 CALOHA:TS-2012 EHDAA2:0003097 EMAPA:35327 FMA:9596 GAID:34 MA:0002564 MESH:D005088 UMLS:C0015282 ducted gland glandula exocrina uberon UBERON:0002365 exocrine gland UBERON:0002365 Endocrine glands are glands of the endocrine system that secrete their products directly into the circulatory system rather than through a duct.[WP, modified]. AEO:0000098 BTO:0001488 CALOHA:TS-1300 EHDAA2:0003098 EMAPA:35999 FMA:9602 GAID:335 MA:0002563 MESH:D004702 OpenCyc:Mx4rvbkiRZwpEbGdrcN5Y29ycA UMLS:C0014133 ductless gland glandula endocrina uberon ductless gland glandulae endocrinae UBERON:0002368 endocrine gland UBERON:0002368 the soft tissue that fills the cavities of bones TODO - create superclass for bone marrow / head kidney. both are portions of tissue in the hematopoetic system. also consider adding as subclass of zone of bone organ for consistency with FMA. See also: Leydig and epigonal organs The bone marrow is the hematopoietic organ in all vertebrates but fishes, in which hematopoiesis occurs in the kidney.[well established][VHOG] In adults, marrow in large bones produces new blood cells[Wikipedia:Bone_marrow] AAO:0011007 BTO:0000141 BTO:0000829 CALOHA:TS-0087 EFO:0000868 EMAPA:32760 EV:0100046 FMA:9608 GAID:1287 MA:0000134 MAT:0000084 MESH:D001853 MIAA:0000084 OpenCyc:Mx4rvVm-FpwpEbGdrcN5Y29ycA UMLS:C0005953 VHOG:0001218 XAO:0000123 galen:BoneMarrow medulla ossea medulla ossium uberon medulla of bone UBERON:0002371 bone marrow UBERON:0002371 Tissue with cells that deposit non-polarized extracellular matrix including connective tissue fibers and ground substance. One of the four types of tissue in traditional classifications. It is largely a category of exclusion rather than one with a precise definition, but there are certain characteristics shared by all or most tissues in this category, such as involvement in structure and support, derived from mesoderm, and characterized largely by the traits of non-living tissue.[AAO] Portion of tissue that consists of mesodermally derived cells and intercellular matrix comprised of protein fibers and carbohydrates, which supports, ensheathes and binds together other tissues.[TAO] Tissue with cells that deposit non-polarized extracellular matrix including connective tissue fibers and ground substance.[VSAO] MA also has set of connective tissues AAO:0000098 BTO:0000421 CALOHA:TS-2009 EFO:0000952 EMAPA:35251 FMA:9640 GAID:100 MA:0000011 MAT:0000301 MESH:D003238 MIAA:0000301 OpenCyc:Mx4rv-aBgZwpEbGdrcN5Y29ycA TAO:0001641 UMLS:C0009780 VSAO:0000017 XAO:0001017 ZFA:0001632 galen:ConnectiveTissue portion of connective tissue textus connectivus uberon Bindegewebe UBERON:0002384 connective tissue UBERON:0002384 Muscle tissue is a contractile tissue made up of actin and myosin fibers[GO]. One of the four types of tissue in traditional classifications. Tissue that contains cells with contractile filaments that move past each other and change the size of the cell. Muscle tissue also is separated into three distinct categories.[AAO] AAO:0000306 AEO:0000122 CALOHA:TS-0642 EHDAA2:0003122 EMAPA:32715 FMA:9641 MA:0002437 MESH:D009132 UMLS:C2328219 galen:MuscleTissue muscular tissue portion of muscle tissue textus muscularis uberon UBERON:0002385 Vertebrate muscle is categorized into three major muscle types defined by their structural and functional properties: skeletal, cardiac and smooth. In Dmel the counterparts are somatic, heart/cardiac and visceral. Here we take a cell type based approach. muscle tissue UBERON:0002385 Anatomical system that is involved in the production of hematopoietic cells. Anatomical system that consists of the blood and blood forming tissues.[AAO] Zebrafish developmental hematopoiesis shows close correspondence to the development of the mammalian hematopoietic system and is regulated by conserved molecular pathways.[well established][VHOG] hematopoietic In humans this is primarily the bone marrow, spleen, tonsils, and lymph nodes AAO:0011002 BTO:0000570 CALOHA:TS-0449 EFO:0000798 EMAPA:35402 EV:0100045 FMA:9667 GAID:1008 MA:0002434 MAT:0000022 MESH:D006413 MIAA:0000022 TAO:0005023 UMLS:C0018957 VHOG:0001624 XAO:0000122 ZFA:0005023 haematological system haemopoietic system organa haemopoietica uberon Blutbildungssystem haematopoietic system hematological system hematolymphoid system hemopoietic system UBERON:0002390 hematopoietic system UBERON:0002390 Any of the ducts that form the biliary tree, carrying bile from the liver to the small intestine. A duct that carries bile from the liver to the intestine. Any of the excretory ducts in the liver that convey bile between the liver and the intestine. [TFD][VHOG] (...) the amphibian liver has characteristics in common with both fish and terrestrial vertebrates. (...) The histological structure of the liver is similar to that in other vertebrates, with hepatocytes arranged in clusters and cords separated by a meshwork of sinusoids and the presence of the traditional triad of portal venule, hepatic arteriole, and bile duct.[well established][VHOG] we place the ZFA class here as this fits its textual definition and child nodes. We may recommend a label change for ZFA AAO:0011019 BTO:0000122 CALOHA:TS-0075 EHDAA2:0000741 EMAPA:35171 EV:0100091 FMA:9706 GAID:280 MA:0000354 MESH:D001652 OpenCyc:Mx4rvdCds5wpEbGdrcN5Y29ycA TAO:0001100 UMLS:C0005400 VHOG:0000212 XAO:0000134 ZFA:0001100 uberon bile tube biliary duct gall duct hepatic duct UBERON:0002394 bile duct UBERON:0002394 Anatomical system that protects the body from foreign substances, cells, and tissues by producing the immune response and that includes especially the thymus, spleen, lymphoid tissue, lymphocytes including the B cells and T cells, and antibodies. The antibody-based immune system defined by the presence of the major histocompatibility complex (MHC), T cell receptor (TCR), B cell receptor (BCR) or recombination activating genes (RAGs) is known beginning from jawed fishes.[well established][VHOG] AAO:0011003 BILA:0000104 FMA:9825 GAID:328 MA:0002711 MESH:D007107 OpenCyc:Mx4rvWNkm5wpEbGdrcN5Y29ycA TAO:0001159 UMLS:C0020962 VHOG:0001247 XAO:0003152 ZFA:0001159 uberon UBERON:0002405 immune system UBERON:0002405 Connected anatomical system that forms a barrier between an animal and its environment. In vertebrates, the integumental system consists of the epidermis, dermis plus associated glands and adnexa such as hair and scales. In invertebrates, the integumental system may include cuticle. (...) the integument of many tetrapods is reinforced by a morphologically and structurally diverse assemblage of skeletal elements. These elements are widely understood to be derivatives of the once all-encompassing dermal skeleton of stem-gnathostomes (...).[well established][VHOG] UBERON:0007029 AEO:0000154 BILA:0000118 CALOHA:TS-1299 CARO:0002001 EFO:0000807 EHDAA2:0000836 EHDAA2_RETIRED:0003154 EHDAA:6520 EMAPA:17524 EV:0100151 FBbt:00004969 FMA:72979 HAO:0000421 MA:0000014 MAT:0000033 MESH:D034582 MIAA:0000033 TADS:0000108 UMLS:C0037267 VHOG:0000403 XAO:0000176 galen:Surface integumentary system uberon body surface dermal system external covering of organism integumentum commune organism surface surface UBERON:0002416 integumental system UBERON:0002416 The abdominal segment of the torso. EMAPA:35104 FMA:259211 MA:0000021 uberon abdomen/pelvis/perineum lower body lower trunk lumbar region UBERON:0002417 abdominal segment of trunk UBERON:0002417 Skeletal tissue that is avascular, rich in glycosaminoglycans (GAGs) and typically includes chondrocytes within isolated lacunae. Cartilage tissue is deposited by chondroblasts. A type of dense connective tissue. It is composed of cells called chondrocytes which are dispersed in a firm gel-like ground substance, called the matrix. Cartilage is avascular (contains no blood vessels) and nutrients are diffused through the matrix. Cartilage is found in the joints, the rib cage, the ear, the nose, in the throat and between intervertebral disks. It makes up virtually the entire skeleton in chondrichthyes.[AAO] Portion of tissue which is connective tissue composed of collagen and/or elastin fibers and chondrocytes. Cartilage is avascular and provides both skeletal functions and a framework upon which bone is deposited.[TAO] Skeletal tissue that is avascular, rich in glycosaminoglycans (GAGs) and typically includes chondrocytes within isolated lacunae. Cartilage tissue is deposited by chondroblasts.[VSAO] relationship loss: subclass specialized connective tissue (AAO:0000571)[AAO] Phylogenetic analysis suggests that cartilage arose independently in cnidarians, hemichordates, vertebrates, arthropods, annelids, brachiopods, and molluscs - or a common ancestor of brachiopods and molluscs (...). Analyses of cartilage as a tissue and of the development of invertebrate cartilages are consistent with homology between invertebrate and vertebrate cartilage. From the discussion above, it will be clear that understanding genetic changes underlying cartilage evolution is key to determining whether the multiple origins of cartilage represent parallel evolution.[well established][VHOG] AAO:0000060 AEO:0000087 BTO:0000206 EFO:0000949 EHDAA2:0003087 EMAPA:32730 EV:0100141 FMA:37377 GAID:99 MA:0000104 MAT:0000189 MESH:D002356 MIAA:0000189 OpenCyc:Mx4rvVjeOZwpEbGdrcN5Y29ycA TAO:0001501 UMLS:C0007301 VHOG:0001207 VSAO:0000040 XAO:0000170 ZFA:0005622 galen:Cartilage cartilage tissue cartilaginous tissue chondrogenic tissue uberon cartilage cartilages portion of cartilage tissue UBERON:0002418 Previous: "A portion of connective tissue dominated by extracellular matrix containing collagen type II and large amounts of proteoglycan, particularly chondroitin sulfate[GO]. Regular connective tissue, which consists of chondrocytes and related cells, the intercellular matrix of which is chondrified. Examples: hyaline cartilage, fibrocartilage, elastic cartilage[FMA]. an avascular supporting and articular skeletal tissue. It also functions as the primary endoskeletal support in vertebrate embryos. Cartilage is deposited by and is composed of chondroblasts and chondrocytes separated by an extracellular matrix, which may or may not mineralize depending on cartilage type, age, or taxon[Hall and Witten]." See also FMA:71500 Set of cartilages, FMA:55107 Cartilage organ, FMA:12264 Articular cartilage. // elements made from cartilage, cartilage-like, or chondroid tissues evolved in invertebrates[H&W] cartilage tissue UBERON:0002418 The part of the digestive system that contains the liver and the biliary system System responsible for the production and movement of bile[ZFIN:curator]. The hepaticobiliary system is responsible for metabolic and catabolic processing of small molecules absorbed from the blood or gut, hormones and serum proteins, detoxification, storage of glycogen, triglycerides, metals and lipid soluble vitamins and excretion of bile. Included are the synthesis of albumin, blood coagulation factors, complement, and specific binding proteins. The parts are: liver, bile duct, gall bladder and hepatic duct [GO:0061008] AAO:0011056 CALOHA:TS-1308 EFO:0000800 EHDAA2:0000998 EHDAA:2189 EMAPA:16840 EV:0100088 MA:0000324 MAT:0000024 MIAA:0000024 TAO:0000036 UMLS:C1711359 VHOG:0000294 XAO:0000132 ZFA:0000036 hepaticobiliary system liver and biliary system uberon liver/biliary system UBERON:0002423 hepatobiliary system UBERON:0002423 A bone that is part of a limb [Automatically generated definition]. the formal definition is very inclusive, and includes sesamoids NCITA includes clavicle. MA:'limb bone' is actually a bone of limb or girdle EFO:0000945 MAT:0000151 MIAA:0000151 UMLS:C0582791 bone of extremity bone of limb free limb bone uberon UBERON:0002428 limb bone UBERON:0002428 Terminal segment of free limb, immediately distal to the zeugopod region. The fully developed autopod consists of the autopod skeleton plus associated structures such as integument, muscle tissue, vasculature etc. The autopod is divided into mesopodial, metapodiual, and acropodial segments. Examples: human hand, mouse paw, human foot Naming conventions for pod terms under discussion within phenoscape group; note that this refers to the limb segment, not just the skeleton. autopod BTO:0004359 EFO:0000877 EMAPA:32722 FMA:83015 MA:0002714 MAT:0000091 MIAA:0000091 UMLS:C0687080 autopodial limb segment autopodial segment autopodium autopodium region distal free limb segment distal segment of free limb uberon autopodial element distal segment of limb manus/pes paw paw/hand/foot/hoof pod UBERON:0002470 autopod region UBERON:0002470 The middle free limb segment, between the autopod and stylopod segments. Includes as parts the zeugopodial skeleton. Examples: There are two types of zeugopod: forelimb zeugopod (aka forearm), hindlimb zeugopod (aka crus). zeugopodial middle part of limb EFO:0000878 FMA:83016 MA:0002716 MAT:0000092 MIAA:0000092 epipodium middle free limb segment middle limb segment zeugopod limb segment zeugopodial limb segment zeugopodium zygopod zygopodium uberon middle segment of free limb UBERON:0002471 There exists some controversy about which podial segments are present in some fishes, e.g. if the autopod is not newly evolved in tetrapods, there is a question as to which segments are actually present in basal vertebrate taxa.[PHENOSCAPE:curators] zeugopod UBERON:0002471 The proximal free limb segment. Includes as parts the stylopod skeleton. stylopodial Naming conventions for pod terms under discussion within phenoscape group proximal part of limb EFO:0000879 FMA:83014 MA:0002717 MAT:0000093 MIAA:0000093 propodium proximal free limb segment stylopodial limb segment stylopodium uberon proximal segment of free limb UBERON:0002472 stylopod UBERON:0002472 Skeletal tissue with a collagen-rich extracellular matrix vascularized, mineralized with hydroxyapatite and typically including osteocytes located in lacunae that communicate with one another by cell processes (in canaliculi). Bone is deposited by osteoblasts. see https://github.com/obophenotype/uberon/issues/27 Skeletal tissue with a collagen-rich extracellular matrix vascularized, mineralized with hydroxyapatite and typically including osteocytes located in lacunae that communicate with one another by cell processes (in canaliculi). Bone is deposited by osteoblasts.[VSAO] CALOHA:TS-2011 EMAPA:35179 FMA:224804 MA:0002780 MESH:D001842 UMLS:C0391978 VSAO:0000047 XAO:0004040 ZFA:0005621 galen:BoneTissue calcium tissue osseous tissue osteogenic tissue mineralized bone tissue uberon bone portion of bone tissue UBERON:0002481 bone tissue UBERON:0002481 Long bone is a limb bone that is subcylindrical and has a shaft with periosteum separating the ends of the bones. Long bones are present only in the limbs[VSAO:wd]. BTO:0004256 EMAPA:35503 FMA:7474 MA:0002802 OpenCyc:Mx4rv6axr5wpEbGdrcN5Y29ycA UMLS:C0222647 galen:LongBone uberon os longum UBERON:0002495 Endochondral_ossification is an essential process during the rudimentary formation of long bones, with the exception of the clavicle[Wikipedia:Endochondral_ossification]. The medial and and lateral ends undergo EO, the mid-portion is formed by a process with features of EO & IO (the process is shared by the mandible)[ISBN:9780397517251] long bone UBERON:0002495 Replacement bone that forms within cartilage. placement in this class to be inferred Replacement bone that forms within cartilage.[VSAO] some structures, e.g. in ZFA are both intramembrane and endochondral AAO:0010776 AEO:0000083 BTO:0002157 EHDAA2:0003083 FMA:24321 TAO:0001591 VSAO:0000145 XAO:0004018 ZFA:0001591 ossified chondrogenic bone uberon cartilaginous bone endochondral bones UBERON:0002513 endochondral bone https://github.com/obophenotype/uberon/wiki/Modeling-endochondral-elements-Design-Pattern UBERON:0002513 A major subdivision of a mature or developing limb, including both skeletal elements (or the mesenchyme that gives rise to the skeletal elements) and associated tissues, such as muscle, connective tissue, integument. Examples: autopod region, zeugopod region, stylopod region, metapodial region, arm region. Excludes the limb girdles. TODO - align this with the CARO2 class 'appendage segment'; note the FMA class does not appear to require repetition FMA has both limb segment and free limb segment, the former includes the girdles. Note that MA uses the term more generally and includes A,S,Z,S+Z(arm/leg), whereas FMA is just A,S,Z FMA:241863 MA:0002889 UMLS:C1268195 free limb segment segment of limb subdivision of limb uberon extremity part limb region region of limb UBERON:0002529 limb segment UBERON:0002529 an organ that functions as a secretory or excretory organ glandular UBERON:MIAA_0000021 AAO:0000212 AEO:0000096 BTO:0000522 EFO:0000797 EHDAA2:0003096 EHDAA:2161 EHDAA:4475 EHDAA:6522 EMAPA:18425 FBbt:00100317 FMA:7146 FMA:86294 HAO:0000375 MA:0003038 MAT:0000021 MIAA:0000021 OpenCyc:Mx4rwP3vyJwpEbGdrcN5Y29ycA UMLS:C1285092 WikipediaCategory:Glands galen:Gland glandular organ uberon Druese glandula UBERON:0002530 gland UBERON:0002530 An outgrowth on the lateral trunk of the embryo that develops into a paired fin. The fin bud is divided into ectoderm and mesenchyme[cjm, modified from MP]. Embryonic surface structure that develops into a paired fin.[ZFA] EFO:0003468 MAT:0000062 MIAA:0000062 TAO:0001383 VSAO:0000179 ZFA:0001383 fin bud fin buds uberon UBERON:0002531 paired fin bud UBERON:0002531 In amniote animal embryology, the epiblast is a tissue type derived either from the inner cell mass in mammals or the blastodisc in birds and reptiles. It lies above the hypoblast. In mammalian embryogenesis, the columnar cells of the epiblast are adjacent to the trophoblast, while the cuboidal cells of the hypoblast are closer to the blastocoele. The epiblast, whilst referred to as the primary ectoderm, differentiates to form all three layers of the trilaminar germ disc in a process called gastrulation[WP]. The outer of the two layers of the blastoderm that form during gastrulation, corresponding to primitive ectoderm during gastrulation and to the definitive ectoderm after gastrulation[ZFA] MP says - tissue that gives rise to the ectoderm, endoderm and mesoderm of the embryo proper. In HOG, epiblast is part of primitive streak/blastpore, which is inconsistent with the MP definition of primitive streak as a ridge of the epiblast. Note that these terms, epiblast and hypoblast, are also used to describe layers of the avian embryonic blastoderm, but the layers so-named seem to be altogether different in these two kinds of vertebrate embryos(CVS). Consider obsoleting this as a grouping class In pregastrula zebrafish embryos, the epiblast is an inverted cup of cells that sits on top of a large yolk cell. (...) In amniote embryos (mammals and birds), gastrulation initiates in an epithelial layer called the epiblast. Cells in the epiblast undergo an epithelial to mesenchymal transition (EMT), migrate through the primitive streak (PS), and incorporate in the middle (mesoderm) or outer (endoderm) layer. The presumptive definitive endoderm (DE) cells invade and displace an outer layer of extraembryonic tissue cells, the hypoblast in chick and the visceral endoderm (VE) in mouse, which form supporting structures such as the yolk sac.[uncertain][VHOG] BTO:0004593 FMA:296704 MAT:0000067 MIAA:0000067 VHOG:0000243 epiblast uberon blastocyst ectoblast epiblastus primitive ectoderm UBERON:0002532 epiblast (generic) UBERON:0002532 Fin that is one of a pair located ventrally on the organism. TAO:0002278 VSAO:0000111 ZFA:0005596 artioptérygie@fr nageoire paire@fr pelvic/pectoral fin uberon UBERON:0002534 paired fin UBERON:0002534 A subdivision of the autopod that has as part a series of phalanges together with associated vasculature, musculature, integument and nerves. It is continuous with the metapodial subdivision of the autopod, but does not include the metapodials. In species such as humans, fully formed digits are distinct, whereas in other species the digits may be connected by interdigital webbing, or may be completely unseparated (for example, in cetaceans). this class represents the entire organism subdivision encompassing soft tissue as well as the underlying skeletal framework. The class represents the phalangeal part only - historically the term 'digit' has also been used to represent the unit consisting of a series of phalanges together with a metapodial bone. We may in future relabel this class to avoid confusion with this concept, but the class will continue to represent the phalangeal portion Our reinterpretation of the distal fin endoskeleton of Panderichthys removes the final piece of evidence supporting the formerly popular hypothesis that tetrapod digits are wholly new structures without homologues in sarcopterygian fish fins. This hypothesis, which was based partly on the complete absence of plausible digit homologues in Panderichthys (then the closest known relative of tetrapods), has already been called into question by the discovery of digit-like radials in Tiktaalik and the fact that Hox gene expression patterns closely resembling those associated with digit formation in tetrapods occur in the distal fin skeletons of paddlefish and Australian lungfish. Our new data show that Panderichthys is not an anomaly: like Tiktaalik and other fish members of the Tetrapodomorpha, it has distal radials that can be interpreted as digit homologues.[well established][VHOG] digital AAO:0011126 EFO:0000881 EMAPA:32725 FMA:85518 MA:0000690 MAT:0000285 MIAA:0000285 OpenCyc:Mx4rvzLD_ZwpEbGdrcN5Y29ycA UMLS:C0582802 VHOG:0000944 XAO:0003032 galen:Digit acropodial unit digit (phalangeal portion) plus soft tissue limb digit uberon UBERON:0002544 digit UBERON:0002544 Ectodermal placode that develops in the head into a part of the sensory nervous system. With a few exceptions (lens, adenohypophyseal), cranial placodes are neurogenic. to avoid confusion, we include neurogenic placode as a subclass. Do not merge. Comparisons of developmental gene expression suggest that the anterior ectoderm in amphioxus may be homologous to the vertebrate olfactory placode, the only vertebrate placode with primary, not secondary, neurons The term placode or placodes also applies to developing organs such as teeth, mammary glands, hair follicles, feathers and scales. We include a separate parent class for this. placode AAO:0010466 EFO:0001650 MAT:0000369 MIAA:0000369 XAO:0000305 uberon cranial placodes UBERON:0002546 cranial placode UBERON:0002546 Anatomical space which contains portions of one or more body substances and is bounded by the internal surface of one maximally connected anatomical structure. Examples: cranial cavity, pharyngeal recess space, nasal cavity, tooth socket, cavity of serous sac, lumen of stomach, lumen of artery, fornix of vagina. cavity FMA:67552 MA:0002447 galen:Cavity uberon UBERON:0002553 anatomical cavity UBERON:0002553 Anatomical divisons of the brain according to one or more criteria, e.g. cytoarchitectural, gross anatomy. Parts may be contiguous in 3D or not, e.g., basal ganglia. FMA:55676 UMLS:C0445620 anatomical structure of brain biological structure of brain brain anatomical structure brain biological structure brain part neuraxis segment neuroanatomical region segment of brain uberon UBERON:0002616 regional part of brain UBERON:0002616 The part of the brain that is the morphological boundary between the midbrain and hindbrain and that is the location of an organizing center which patterns the midbrain and hindbrain primordia of the neural plate. consider adding class for organizer. Consider adding separate class for isthmus as a structure Lampreys also have an MHB [midbrain hindbrain boundary], expressing a similar repertoire of regulatory gene cognates as in gnathostomes.[well established][VHOG] AAO:0011064 DMBA:16810 EHDAA2:0004395 EHDAA:5789 EMAPA:32857 TAO:0000042 VHOG:0000649 XAO:0000016 ZFA:0000042 MHB mid-hindbrain boundary mid-hindbrain junction midbrain hindbrain boundary uberon isthmic organizer territory isthmo-cerebellar region isthmus isthmus/MHB UBERON:0003052 midbrain-hindbrain boundary UBERON:0003052 A temporary epithelium that derives from the outer layer of the ectdoerm and is shed once the inner layer differentiates to form a true epidermis. The outermost epidermal layer covering the fish at embryonic stages; derived from the EVL and thought to eventually be replaced by the superficial stratum of the epidermis. Sometimes used synonymously with EVL. Le Guellec et al, 2004.[TAO] relationship type change: OBO_REL:part_of ectoderm (TAO:0000016) CHANGED TO: develops_from ectoderm (UBERON:0000924)[TAO] In mice, the first non-basal layer formed at ~E9.5; it is a temporary structure composed of simple squamous epithelium that serves as the first barrier to the embryo's physical environment, exists throughout the entire keratinocyte stratification process, and sheds off at ~E17, when it is replaced by corneocytes[MP] In some mammals, Eyelid Fusion is thought to be driven by a population of cells which are derived from the periderm, the outermost layer of the developing epidermis Originally the epidermis is one layer thick, in most vertebrates it soon becomes a two-layered structure. The outer layer gives rise to the periderm. The periderm goes through distinct developmental phases and is ultimately sloughed into the amniotic fluid when differentiation of the underlying epidermal layers is complete. The function of the periderm is not known, but is thought to be related to transport/exchange between the fetus and the amniotic fluid (http://courses.washington.edu/hubio567/devbio/periderm.html) EHDAA2:0001846 EHDAA:6538 FMA:295662 TAO:0001185 UMLS:C1518973 VHOG:0001680 XAO:0000029 ZFA:0001185 skin periderm uberon EVL epidermis epithelial layer epidermis outer layer epitrichium periderm UBERON:0003055 periderm UBERON:0003055 The portion of neural plate anterior to the mid-hindbrain junction. (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] AAO:0011084 TAO:0007016 VHOG:0001200 XAO:0000045 ZFA:0007016 uberon anterior neural plate UBERON:0003056 pre-chordal neural plate UBERON:0003056 The portion of neural plate posterior to the mid-hindbrain junction. (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] TAO:0007017 VHOG:0001201 XAO:0000046 ZFA:0007017 uberon posterior neural plate UBERON:0003057 chordal neural plate UBERON:0003057 Unsegmented field of paraxial mesoderm present posterior to the most recently formed somite pair, from which somites will form. Unsegmented field of paraxial mesoderm present posterior to the most recently formed somite pair, from which somites will form. Kimmel et al, 1995.[TAO] It is reasonable to assume that the proximate invertebrate ancestor of the vertebrates had an amphioxus-like tail bud in its larval stage. This archetypal tail bud would have (...) (3) lacked any component of mesenchyme cells, (4) budded off new mesodermal segments directly, without any intervening zone of presomitic mesoderm (...). Then, early in vertebrate evolution, epithelium-to-mesenchyme interconversions (and the gene networks for effecting them) became prominent features of development. (...) In any case, conspicuous mesenchymal components tended to be added to the vertebrate tail bud itself. In addition, a mesenchymatous presomitic mesoderm (not a part of the tail bud proper) came to intervene between the tail bud and the forming somites.[well established][VHOG] AAO:0011086 EFO:0001982 EMAPA:16189 EMAPA:16752 TAO:0000279 VHOG:0000559 XAO:0000057 ZFA:0000279 segmental plate unsegmented paraxial mesoderm uberon PSM presumptive somite mesoderm somitogenic mesoderm somitomeric mesoderm unsegmented mesenchyme UBERON:0003059 presomitic mesoderm UBERON:0003059 In mammals, the pronephric duct is the predecessor of the Wolffian duct[WP]. Duct of the embryonic kidney, present bilaterally ventral to the somites and leading to the anal region where it empties separately from, and just posterior to the anus. Kimmel et al, 1995.[TAO] The first-formed kidney duct, which drains the kidney of most anamniotes and becomes the ductus deferens of male amniotes. [Bemis_WE, Functional_Anatomy_of_the_Vertebrates:_An_Evolutionary_Perspective, Glossary_G-3, Grande_L, Liem_KF, Third_Edition_(2001)_Orlando_Fla.:_Harcourt_College_Publishers, Walker_WF][VHOG] (...) in all craniates, the archinephric duct develops in embryogeny.[well established][VHOG] AAO:0011088 TAO:0000150 UMLS:C1283945 VHOG:0000082 XAO:0000063 ZFA:0000150 uberon archinephric duct ductus pronephricus pronephric ducts UBERON:0003060 The pronephric duct collects the filtrate from the pronephric tubules and opens to the exterior of the pronephric kidney[GOC:mtg_kidney_jan10, http://www.ncbi.nlm.nih.gov/pubmed/15647339, XAO:0000063, ZFA:0000150] pronephric duct UBERON:0003060 Blood islands are structures in the developing embryo which lead to many different parts of the circulatory system. They primarily derive from plexuses formed from angioblasts. Within them, vacuoles appear through liquefaction of the central part of the syncytium into plasma. The lumen of the blood vessels thus formed is probably intracellular. The flattened cells at the periphery form the endothelium. The nucleated red blood corpuscles develop either from small masses of the original angioblast left attached to the inner wall of the lumen or directly from the flat endothelial cells. In either case the syncytial mass thus formed projects from and is attached to the wall of the vessel. Such a mass is known as a blood island and hemoglobin gradually accumulates within it. Later the cells on the surface round up, giving the mass a mulberry-like appearance. Then the red blood cells break loose and are carried away in the plasma. Such free blood cells continue to divide. Blood islands have been seen in the area vasculosa in the omphalomesenteric vein and arteries, and in the dorsal aorta[WP, unvetted]. Nests of developing blood cells arising late in the segmentation period from the intermediate mass, and located in the anterior-ventral tail, just posterior to the yolk extension. Kimmel et al, 1995.[TAO] Region located on the ventral surface of the developing embryo that is a site of hematopoiesis and that is analogous to the yolk sac blood islands of higher vertebrates.[AAO] relationship loss: part_of intermediate cell mass of mesoderm (TAO:0000033)[TAO] Small clusters of mesodermal cells called blood islands mark the embryonic debut of the cardiovascular system (in vertebrates) (reference 1); In birds and mammals, primitive hemangioblasts are extraembryonic, populating the yolk sac as the so-called blood islands (reference 2).[well established][VHOG] EHDAA2 distinguishes 3 types, but does not have a superclass. The VHOG class may refer to yolk sac ventral lateral plate mesoderm AAO:0011006 EFO:0003489 EHDAA:207 TAO:0000094 TE:E5.11.2.0.0.0.4 UMLS:C1511224 VHOG:0000085 XAO:0000067 ZFA:0000094 blood islands uberon VBI caudal hematopoietic tissue posterior ICM posterior blood island ventral blood island UBERON:0003061 blood island UBERON:0003061 The intermediate mesoderm is located between the lateral mesoderm and the paraxial mesoderm. It develops into the kidney and gonads. Mesoderm between somite and lateral plate. Traditionally thought to give rise to the urogenital system.[AAO] (...)the mesoderm of a developing vertebrate transitionally differentiates into the following sub-types: Chordamesoderm (also known as axial mesoderm) which later on gives rise to notochord in all chordates, Paraxial mesoderm, Intermediate mesoderm, Lateral plate mesoderm (reference 1); The mesoderm is present in Bilateria, therefore they are sometimes called triploblasts. Ectoderm and endoderm are usually organized as epithelial layers, while mesoderm can be epithelial or a compact, three-dimensional tissue.[well established][VHOG] all AOs differ in the relationship between this structure and the mesoderm; in ZFA it is a subclass (and this is implied by the GO definition and GO relationships), in AAO it is part of, and in EHDAA2 it develops from the mesoderm (but in EHDAA2 the naming convention is to use 'paraxial mesenchyme', rather than 'paraxial mesoderm'). AAO:0010575 EMAPA:16056 EMAPA:16178 FMA:293147 TAO:0001206 UMLS:C1284010 VHOG:0000087 XAO:0000085 ZFA:0001206 uberon IM intermediate mesenchyme intermediate plate intermediate plate mesoderm mesenchyma intermedium UBERON:0003064 intermediate mesoderm UBERON:0003064 The axial mesoderm includes the prechordal mesoderm and the chordamesoderm. It gives rise to the prechordal plate and to the notochord. The portion of the mesoderm underlying the midline of the embryo. [Gastrulation:_From_cells_to_embryo_(2004)_Cold_Spring_Harbor, Glossary_XV, New_York:_Cold_Spring_Harbor_Laboratory_Press, Stern_CD][VHOG] AAO:0011017 EFO:0003647 TAO:0001204 VHOG:0000107 XAO:0000205 ZFA:0001204 uberon chordamesoderm UBERON:0003068 axial mesoderm UBERON:0003068 Portion of tissue that is part of the anterior neural keel and will form the optic vesicle[ZFA]. A paired ectodermal placode that becomes invaginated to form the embryonic lens vesicles. TODO - check that GO's optic placode is the same as ZFA's eye primordium; we may want to have separate term for ocular primordium precursor. XAO has both optic field and eye primordium. UBERON:0005060 AAO:0011038 EFO:0003541 EHDAA2:0004431 TAO:0000570 XAO:0000227 XAO:0004090 ZFA:0000570 eye placode occular primordium ocular primordium optic placode optic placode of camera-type eye optic primordium uberon eye anlage eye field optic field optic placodes UBERON:0003071 eye primordium UBERON:0003071 Multi-tissue structure that is comprised of neural and non-neural epithelial layers which will form the retina and retinal pigmented epithelium of the mature eye[ZFA]. double walled structured formed by expansion and invagination of the distal end of the optic vesicle that develops into the pigmented and sensory layers of the retina while the mouth of the optic cup eventually forms the pupil of the eye[MP]. (...) an essentially similar sequence of events occurs during the embryonic development of the vertebrate eye. The eye initially develops as a single median evagination of the diencephalon that soon bifurcates to form the paired optic vesicles. As each optic vesicle grows towards the body surface, its proximal part narrows as the optic stalk, and its distal part invaginates to form a two-layered optic cup.[well established][VHOG] BTO:0005351 EHDAA2:0001303 EHDAA:2912 EMAPA:16674 TAO:0001202 UMLS:C0231109 VHOG:0000167 ZFA:0001202 uberon eye cup eyecup ocular cup ophtalmic cup UBERON:0003072 optic cup UBERON:0003072 A thickened portion of ectoderm which serves as the precursor to the lens. SOX2 and Pou2f1 are involved in its development[WP]. Ectodermal primordium of the lens of the eye. Kimmel et al, 1995.[TAO] (...) an essentially similar sequence of events occurs during the embryonic development of the vertebrate eye. The eye initially develops as a single median evagination of the diencephalon that soon bifurcates to form the paired optic vesicles. As each optic vesicle grows towards the body surface, its proximal part narrows as the optic stalk, and its distal part invaginates to form a two-layered optic cup. (...) The optic cup induces the overlying surface ectoderm first to thicken as a lens placode and then to invaginate and form a lens vesicle that differentiates into the lens.[well established][VHOG] Classical transplantation experiments using amphibian embryos suggested that the optic vesicle is the source of lens-inducing signals sufficient to generate lens tissues in competent ectoderm (reviewed in Grainger et al., 1996). More recent findings suggest a multistep model for lens induction. There is now good evidence that lens specification occurs at the neurula stage, before the optic vesicle contact the surface ectoderm, and that neural crest cell migration in the frontonasal region is required to restrict the position of the lens placode (Bailey et al., 2006) AAO:0011055 EFO:0003494 EHDAA2:0000982 EHDAA:2908 EMAPA:16672 FMA:296767 TAO:0000122 UMLS:C1517770 VHOG:0000166 XAO:0000240 ZFA:0000122 uberon lens placodes placoda lentis UBERON:0003073 lens placode UBERON:0003073 Paired organ that connects the primitive kidney Wolffian body (or mesonephros) to the cloaca and serves as the anlage for certain male reproductive organs. the Wolffian duct is what remains of the pronephric duct after the atrophy of the pronephros[WP]. In Zebrafish: Duct of the adult kidney (mesonephros), present bilaterally ventral to the somites and leading to the cloacal chamber[ZFA]. Consider adding subclasses for male and female specific variants TODO - mesonephric portion of the nephric duct Anatomical structure consisting of either of a pair of longitudinal ducts which carry urine and in males, sperm, to the cloaca.[AAO] The first-formed kidney duct, which drains the kidney of most anamniotes and becomes the ductus deferens of male amniotes. [Bemis_WE, Functional_Anatomy_of_the_Vertebrates:_An_Evolutionary_Perspective, Glossary_G-3, Grande_L, Liem_KF, Third_Edition_(2001)_Orlando_Fla.:_Harcourt_College_Publishers, Walker_WF][VHOG] (...) in all craniates, the archinephric duct develops in embryogeny.[well established][VHOG] In the male the Wolffian duct persists, and forms for example the epididymis, the ductus deferens, the ejaculatory duct, seminal vesicle and efferent ducts. AAO:0000637 EHDAA2:0001243 EHDAA:1590 EMAPA:16577 GAID:1315 MESH:A16.254.940 TAO:0000546 UMLS:C0043204 VHOG:0000082 XAO:0000242 ZFA:0000546 Wolffian duct uberon Leydig's duct archinephric duct ductus mesonephricus; ductus Wolffi renal duct UBERON:0003074 mesonephric duct UBERON:0003074 A region of embryonic ectodermal cells that lie directly above the notochord. During neurulation, they change shape and produce an infolding of the neural plate (the neural fold) that then seals to form the neural tube[XAO]. The earliest recognizable dorsal ectodermal primordium of the central nervous system present near the end of gastrulation before infolding to form the neural keel; consists of a thickened pseudostratified epithelium[ZFA] The earliest recognizable dorsal ectodermal primordium of the central nervous system present near the end of gastrulation before infolding to form the neural keel; consists of a thickened pseudostratified epithelium. Kimmel et al, 1995.[TAO] (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] AAO:0011072 BTO:0001765 DHBA:10153 DMBA:15565 EHDAA:346 EHDAA:902 EMAPA:35593 FMA:293879 RETIRED_EHDAA2:0001252 TAO:0000132 UMLS:C0920623 VHOG:0000068 XAO:0000249 ZFA:0000132 uberon lamina neuralis presumptive central nervous system UBERON:0003075 neural plate UBERON:0003075 (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] AAO:0011082 TAO:0007037 VHOG:0001383 XAO:0000250 ZFA:0007037 uberon UBERON:0003076 posterior neural tube UBERON:0003076 The paraxial mesoderm is the mesoderm located bilaterally adjacent to the notochord and neural tube[GO] Mesoderm lateral to the neural tube and notochord that is divided into cranial and post-cranial portions. The trunk portions further segment into somites.[AAO] Presently, Cephalochordata, Urochordata, and Vertebrata are placed as subphyla of the phylum Chordata, in which the overall organization of embryonic tissues (dorsal hollow nerve cord, ventral digestive tract, axial notochord, and bilateral paraxial mesoderm) is largely conserved. In contrast, the echinoderms and hemichordates are sister groups of the chordates and they lack the notochord and paraxial mesoderm. Thus, the basic mesodermal organization of vertebrates must have appeared first in the common ancestor of the chordates.[well established][VHOG] note that all AOs differ in the relationship between this structure and the mesoderm; in ZFA it is a subclass (and this is implied by the GO definition and GO relationships), in AAO it is part of, and in EHDAA2 it develops from the mesoderm (but in EHDAA2 the naming convention is to use 'paraxial mesenchyme', rather than 'paraxial mesoderm'). Also in ZFA it is part of the trunk whereas this conflicts with the division into head and trunk in ehdaa2 (which we follow here) AAO:0010568 EFO:0003515 EMAPA:16183 EMAPA:16751 FMA:293145 TAO:0000255 UMLS:C1284009 VHOG:0000114 XAO:0000259 ZFA:0000255 paraxial mesenchyme somitic mesoderm uberon mesoderma paraxiale UBERON:0003077 paraxial mesoderm UBERON:0003077 TODO - add grouping class for the anterior end of the neural tube at all stages (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] AAO:0011012 TAO:0007038 VHOG:0001384 XAO:0000307 ZFA:0007038 uberon UBERON:0003080 anterior neural tube UBERON:0003080 Portion of the middle of the three primary germ layers of the embryo that resides on the periphery of the embryo, is continuous with the extra-embryonic mesoderm, splits into two layers enclosing the intra-embryonic coelom, and gives rise to body wall structures[MP]. Portion of mesoderm traditionally thought to give rise to limb bones and parts of the girdles.[AAO] The portion of the mesoderm of the trunk of vertebrate embryos lying lateral to the intermediate mesoderm. [...] [It] subdivides into two plates: one dorsal, called the somatopleure, and one ventral, called the splanchnopleure. [Gastrulation:_From_cells_to_embryo_(2004)_Cold_Spring_Harbor, Glossary_XV, New_York:_Cold_Spring_Harbor_Laboratory_Press, Stern_CD][VHOG] A ventrolateral zone of amphioxus mesoderm grows down to surround the gut. Homology of this zone to the lateral plate mesoderm of vertebrates is supported by site of origin and fate.[well established][VHOG] subclass of mesoderm in ZFA. UBERON:0006258 AAO:0010574 EHDAA2:0000919 EHDAA:379 EMAPA:16179 FMA:293149 TAO:0000121 UMLS:C1517749 VHOG:0000118 XAO:0000311 ZFA:0000121 LPM lateral mesoderm uberon lateral plate lateral plate mesenchyme mesoderma laminae lateralis UBERON:0003081 lateral plate mesoderm UBERON:0003081 A transitional population of migrating mesenchymal cells that derive from somites and that will become muscle cells. The term 'myotome' is also used to describe the muscles served by a single nerve root / spinal segment - consider adding new class, myomere. Portion of the somites giving rise to body wall muscle masses. Kimmel et al, 1995.[TAO] In all vertebrates, the skeletal muscle of the body axis is chiefly derived from an early embryonic compartment, known as the myotome.[well established][VHOG] AAO:0011067 AEO:0001018 BTO:0000742 EHDAA2_RETIRED:0003431 EHDAA:1721 EHDAA:1727 EHDAA:1733 EHDAA:1739 EMAPA:32841 FMA:295658 TAO:0001056 UMLS:C1513802 VHOG:0001244 XAO:0000315 ZFA:0001056 myomeres uberon muscle plate myomere myotome region myotomes myotomus UBERON:0003082 myotome UBERON:0003082 Bilateral groups of cells consisting of three rows: one row of endocardial precursors medially and two rows of myocardical precursors laterally. The two populations fuse at the midline to form the heart rudiment or cone. should probably be merged with heart rudiment. Bilateral groups of cells consisting of three rows: one row of endocardial precursors medially and two rows of myocardical precursors laterally. The two populations fuse at the midline between 21 and 26 somites to form the heart rudiment or cone. Stainier 2001.[TAO] The fused aspects of ventral mesoderm, which have migrated from either side of the prechordal plate, and fused ventrally, just behind the cement gland. They will give rise to the endocardium at NF stage 27&28.[AAO] relationship loss: develops_from lateral mesoderm (TAO:0001065)[TAO] AAO:0011044 BTO:0001887 TAO:0000028 UMLS:C1514450 XAO:0000336 ZFA:0000028 uberon cardiac field fused heart primordium UBERON:0003084 heart primordium UBERON:0003084 Ventral somitic compartment that is a precursor of the axial skeleton[XAO]. Sclerotomes eventually differentiate into the vertebrae and most of the skull. The caudal (posterior) half of one sclerotome fuses with the rostral (anterior) half of the adjacent one to form each vertebra. From their initial location within the somite, the sclerotome cells migrate medially towards the notochord. These cells meet the sclerotome cells from the other side to form the vertebral body. From this vertebral body, sclerotome cells move dorsally and surround the developing spinal cord, forming the vertebral arch[WP]. Skeletogenic portion of somites.[AAO] The vertebrate sclerotome has no equivalent in amphioxus and is a novelty linked with the evolution of the axial skeleton.[well established][VHOG] part_of somite in XAO AAO:0010571 AEO:0000212 EHDAA2:0003439 EMAPA:31159 FMA:295652 TAO:0001080 UMLS:C0183176 VHOG:0000680 XAO:0000397 ZFA:0001080 sclerotomes uberon sclerotomus UBERON:0003089 sclerotome UBERON:0003089 neural crest cells (NCCs) originating in the anterior part of the developing embryo and residing between the mid-diencephalon and the forming hindbrain; cranial NCCs migrate dorsolaterally to form the craniofacial mesenchyme that differentiates into various craniofacial cartilages and bones, cranial neurons, glia, and connective tissues of the face; these cells enter the pharyngeal pouches and arches where they give rise to thymic cells, bones of the middle ear and jaw (mandible), and the odontoblasts of the tooth primordia; like their counterparts in the trunk, cranial NCCs also contribute to the developing peripheral nervous system, along with the pigmented cell (i.e. melanocyte) lineage. Anterior most portion of the neural crest. Migrates in three highly conserved streams: mandibular, hyoid and branchial.[AAO] Neural crest that is part of the head.[TAO] We conclude this section by listing some of the many synapomorphies of craniates, including (1) the neural crest (...).[well established][VHOG] AAO:0010580 EFO:0003645 EHDAA2:0004420 EMAPA:16091 TAO:0001194 VHOG:0000063 XAO:0001001 ZFA:0001194 CNC cephalic neural crest cranial NCC population head NCC population uberon crista neuralis cranialis head crest head neural crest UBERON:0003099 cranial neural crest UBERON:0003099 Gonochoristic organism that can produce female gametes. AAO:0010030 BILA:0000028 CARO:0000028 FBbt:00007011 FMA:67812 HAO:0000028 TAO:0000303 TGMA:0001839 XAO:0003005 ZFA:0000303 female human body uberon female UBERON:0003100 female organism UBERON:0003100 Gonochoristic organism that can produce male gametes. AAO:0010033 BILA:0000027 CARO:0000027 FBbt:00007004 FMA:67811 HAO:0000027 TAO:0000242 TGMA:0001838 WBbt:0007850 XAO:0003006 ZFA:0000242 male human body uberon male UBERON:0003101 male organism UBERON:0003101 Anatomical structure that overlaps the outer epithelial layer and is adjacent to the space surrounding the organism. Organism subdivision which is the collection of anatomical structures on the body surface.[ZFA] AAO:0010337 AEO_RETIRED:0000010 EHDAA2_RETIRED:0003010 TAO:0000292 VSAO:0000001 XAO:0003028 ZFA:0000292 galen:SurfaceRegion anatomical surface feature uberon surface feature surface region surface structures UBERON:0003102 surface structure UBERON:0003102 Anatomical structure that has as its parts two or more multi-tissue structures of at least two different types and which through specific morphogenetic processes forms a single distinct structural unit demarcated by bona fide boundaries from other distinct anatomical structures of different types. this class was introduced for consistency with CARO. However, in this ontology we typically classify organs directly under 'organ' rather than subdividing into compound and simple organs AAO:0010015 AEO:0000024 BILA:0000024 CARO:0000024 EHDAA2:0003024 HAO:0000024 TADS:0000598 TAO:0000496 TGMA:0001837 VHOG:0001723 XAO:0003041 ZFA:0000496 uberon organ UBERON:0003103 compound organ UBERON:0003103 Portion of tissue consisting of loosely organized undifferentiated mesodermal cells that give rise to such structures as connective tissues, blood, lymphatics, bone, and cartilage[XAO]. A mesh-like cell arrangement, less compact than an epithelium[ZFA]. The part of the embryonic mesoderm, consisting of loosely packed, unspecialized cells set in a gelatinous ground substance, from which connective tissue, bone, cartilage, and the circulatory and lymphatic systems develop[BTO]. the relationship to mesoderm is weaker than develops_from in order to have classes such as 'head mesenchyme from mesoderm' make sense A mesh-like cell arrangement, less compact than an epithelium. Kimmel et al, 1995.[TAO] Portion of tissue consisting of loosely organized undifferentiated mesodermal cells that give rise to such structures as connective tissues, blood, lymphatics, bone, and cartilage.[AAO] mesenchymal AAO:0010427 AEO:0000145 BTO:0001393 CALOHA:TS-0620 EHDAA2:0003145 EV:0100007 TAO:0000393 UMLS:C0162415 VHOG:0000170 XAO:0003046 ZFA:0000393 mesenchymal tissue mesenchyme tissue portion of mesenchymal tissue portion of mesenchyme tissue uberon mesenchyma UBERON:0003104 mesenchyme UBERON:0003104 An organ involved in reproduction GO uses genitalia for the singular organ EMAPA:17381 MA:0001752 MESH:D005835 OpenCyc:Mx4rwO39aJwpEbGdrcN5Y29ycA TGMA:0000591 UMLS:C0017420 WBbt:0008422 genital organ reproductive system organ sex organ uberon genitalia UBERON:0003133 reproductive organ UBERON:0003133 A female organ involved in reproduction EMAPA:28540 MA:0000544 female organism reproductive organ female organism reproductive structure female organism reproductive system organ female organism sex organ female reproductive gland/organ female reproductive system organ female sex organ reproductive organ of female organism reproductive structure of female organism reproductive system organ of female organism sex organ of female organism uberon UBERON:0003134 female reproductive organ UBERON:0003134 one of the two embryological structures that give rise to the kidney (the other is the ureteric bud). The metanephric blastema mostly develops into nephrons, but can also form parts of the collecting duct system.[WP]. Metanephric mesenchyme is the tissue made up of loosely connected mesenchymal cells in the metanephros[GO] A mass of intermediate mesodermal cells around the distal end of the ureteric bud that gives rise to nephrons in the metanephric kidney. [TFD][VHOG] When the ureteric buds emerge from the nephric duct, they enter the metanephrogenic mesenchyme. The ureteric buds induce this mesenchymal tissue to condense around them and differentiate into the nephrons of the mammalian kidney. As this mesenchyme differentiates, it tells the ureteric bud to branch and grow.[well established][VHOG] EHDAA2:0004062 EHDAA:4041 EHDAA:5021 EHDAA:5915 EMAPA:17208 EMAPA:17375 EMAPA:29990 VHOG:0000540 metanephric blastema metanephric mesoderm metanephrogenic mesenchyme metanephros associated mesenchyme uberon UBERON:0003220 Genes: The positional specification of the metanephrogenic mesenchyme is negatively regulated by Foxc1 and Foxc2. Next the permanent kidney forming metanephrogenic mesenchyme is specified by Hox11 genes. The competence to respond to ureteric bud inducers is regulated by WT1. GDNF secretion restricted to posterior region by Robo2 and Sprouty1. The receptors for GDNF are synthesized in the nephric ducts and later in ureteric buds [ISBN:9780878932504 "Developmental Biology"] metanephric mesenchyme UBERON:0003220 Endochondral bones that are often elongate and arranged in rows of articulating elements, and form the visible part of the digits. phalangeal In primates such as humans and monkeys, the thumb and big toe have two phalanges, while the other fingers and toes consist of three CALOHA:TS-2211 EMAPA:32614 FMA:321661 MA:0000304 OpenCyc:Mx4rvolPZpwpEbGdrcN5Y29ycA UMLS:C0222682 VSAO:0000199 galen:Phalanx digit long bone long bone of digit phalange phalanges phalanx bone uberon UBERON:0003221 phalanx UBERON:0003221 A gland that is part of a foregut [Automatically generated definition]. EHDAA2:0000567 EHDAA:950 EMAPA:16557 VHOG:0000650 foregut gland uberon UBERON:0003294 gland of foregut UBERON:0003294 Mesenchyme that is part of a developing camera-type eye. TODO - change mesenchyme relationships to precursor_of EHDAA2:0000485 EHDAA:2910 EMAPA:16673 VHOG:0001084 mesenchyme of eye uberon UBERON:0003314 eye mesenchyme UBERON:0003314 A layer of epithelial cells on the surface of the mucosa. BTO:0003752 uberon lamina epithelialis mucosa lamina epithelialis mucosae UBERON:0003350 lies on top of lamina propria epithelium of mucosa UBERON:0003350 any of the striated muscles that move the eye and include: superior rectus, inferior rectus, medial rectus, lateral rectus, superior oblique, inferior oblique, retractor bulbi Not clear if we need this and intra-ocular muscle. See issue #331. MA includes ciliary and iris smooth muscle EMAPA:18807 MA:0001268 ocular smooth muscle uberon UBERON:0003386 smooth muscle of eye UBERON:0003386 A gland that is part of a digestive tract [Automatically generated definition]. EMAPA:18815 MA:0003202 digestive tract gland gland of digestive tract gland of lower gastrointestinal tract gut gland lower gastrointestinal tract gland uberon UBERON:0003408 gland of gut UBERON:0003408 A blood vessel that is part of the arterial system. Includes artery, arteriole and aorta. EMAPA:35144 MA:0000061 uberon UBERON:0003509 only in MA - supertype of artery, arteriole, aorta. arterial blood vessel UBERON:0003509 A long bone that is part of a limb [Automatically generated definition]. EMAPA:35495 MA:0000298 long bone of limb uberon UBERON:0003606 limb long bone UBERON:0003606 Any joint that is part of a (free) limb. EMAPA:36501 FMA:321558 MA:0000691 galen:LimbJoint joint of limb joint of limb skeletal system skeletal limb joint uberon UBERON:0003657 Most limb joints are synovial, but a few such as the tibiofibular joints are syndesmoses limb joint UBERON:0003657 Passages external to the liver for the conveyance of bile. These include the common bile duct and the common hepatic duct. includes all the cystic duct, all the common bile duct and the extrahapetic part of the hepatic duct FMA:14678 GAID:281 MA:0002659 MESH:D017734 UMLS:C0206187 uberon bile duct extrahepatic part extrahepatic biliary system UBERON:0003703 extrahepatic bile duct UBERON:0003703 Passages within the liver for the conveyance of bile. Includes right and left hepatic ducts even though these may join outside the liver to form the common hepatic duct. includes the hepatic duct of the caudate lobe, and the intra- and inter- lobar bile ducts Duct that collects bile from the bile ductules and connects to the extrahepatic bile duct.[TAO] FMA:15766 GAID:287 MA:0001630 MESH:D001653 TAO:0005169 UMLS:C0005401 ZFA:0005169 bile duct intrahepatic part uberon intrahepatic biliary system UBERON:0003704 intrahepatic bile duct UBERON:0003704 Portion of tissue in the nervous system which consists of neurons and glial cells, and may also contain parts of the vasculature. One of the four types of tissue in traditional classifications. Cells forming the brain, spinal cord and peripheral nervous system.[AAO] FMA definition includes vasculature AAO:0000325 AEO:0000123 EHDAA2:0003123 FMA:9642 GAID:609 MESH:D009417 OpenCyc:Mx4rVmfYCsQ_QdeM_bFAeS8NRQ UMLS:C0027757 nerve tissue nervous tissue portion of neural tissue uberon UBERON:0003714 neural tissue UBERON:0003714 A bone of the metapodial skeleton MA:0000301 metacarpal or metatarsal bone metacarpal/metatarsal metacarpal/metatarsal bone metapodi bone metapodial bone metapodium bone uberon UBERON:0003821 metapodium bone UBERON:0003821 A limb joint that is part of an autopod [Automatically generated definition]. EMAPA:35160 MA:0002715 autopod joint of limb autopod limb joint distal free limb segment joint of limb distal free limb segment limb joint joint of limb of autopod joint of limb of distal free limb segment limb joint of autopod limb joint of distal free limb segment uberon paw joint UBERON:0003841 autopod joint UBERON:0003841 An anatomical space that surrounded_by a neural tube. (...) at some stage of its development, every chordate exhibits five uniquely derived characters or synapomorphies of the group: (...) (4) a single, tubular nerve cord that is located dorsal to the notochord (...).[well established][VHOG] UBERON:0005713 AAO:0011073 EHDAA2:0001269 EHDAA:2889 EHDAA:914 EMAPA:16167 EMAPA:16533 VHOG:0001119 XAO:0000252 cavity of neural tube lumen of neural tube neural tube neural lumen prosencoel uberon central lumen neural lumen neurocoel UBERON:0003842 neural tube lumen UBERON:0003842 A neural crest that has_potential_to_developmentally_contribute_to a midbrain. We conclude this section by listing some of the many synapomorphies of craniates, including (1) the neural crest (...).[well established][VHOG] EFO:0003591 EHDAA2:0001101 EHDAA:360 TAO:0000935 VHOG:0000796 ZFA:0000935 mesencephalic neural crest neural crest midbrain uberon UBERON:0003849 mesencephalic neural crest UBERON:0003849 A neural crest that has_potential_to_developmentally_contribute_to a telencephalon. Cranial neural crest that is part of the telencephalon.[TAO] We conclude this section by listing some of the many synapomorphies of craniates, including (1) the neural crest (...).[well established][VHOG] EFO:0003574 RETIRED_EHDAA2:0001991 TAO:0000812 VHOG:0000799 ZFA:0000812 neural crest telencephalon uberon UBERON:0003850 telencephalon neural crest UBERON:0003850 A neural crest that has_potential_to_developmentally_contribute_to a hindbrain. Cranial neural crest that is part of the hindbrain.[TAO] We conclude this section by listing some of the many synapomorphies of craniates, including (1) the neural crest (...).[well established][VHOG] EHDAA2:0001628 EHDAA:362 EMAPA:35747 TAO:0007063 VHOG:0001210 ZFA:0007063 neural crest hindbrain rhombencephalic neural crest uberon rhombomere neural crest UBERON:0003852 rhombencephalon neural crest UBERON:0003852 A neural crest that has_potential_to_developmentally_contribute_to a spinal cord. We conclude this section by listing some of the many synapomorphies of craniates, including (1) the neural crest (...)[well established][VHOG] EHDAA:696 EMAPA:16163 EMAPA:16529 EMAPA:16881 VHOG:0001006 neural crest spinal cord uberon spinal neural crest UBERON:0003853 spinal cord neural crest UBERON:0003853 An anatomical cavity that has the potential to develop into a coelemic cavity lumen. uberon body cavity precursor UBERON:0003886 future coelemic cavity lumen UBERON:0003886 The part of the coelom in the embryo between the somatopleuric and splanchnopleuric mesoderm; the principal body cavities of the trunk (thoracic, abdominal, and pelvic) arise from this embryonic part of the coelom consider merging with coelom. TODO - add spatial relationships to halves of LPM. Note the OG places XAO and ZFA coelem terms here. editor note: TODO check ZFA, which appears to be a structure present in adults (...) I regard it unlikely that coeloms of all bilaterian animals are comparable and evolved very early. Considering all these questions, few convincing characters concerning the evolution of body cavities remain to be named. (...) A segmental coelom appears to have evolved at least two times, in Annelida and in Myomerata (Acrania and Craniota).[well established][VHOG] EHDAA:251 EMAPA:16088 UMLS:C1512940 VHOG:0000316 somatic coelom uberon UBERON:0003887 intraembryonic coelom UBERON:0003887 A small endodermal thickening in the foregut adjacent to the transverse septum. Invaginates forming the hepatic diverticulum. consider adding further subdivisions of the endoderm, e.g. ventral foregut. Note we place two EFO classes here, it's not clear how they differ AAO:0011058 BTO:0003391 EFO:0002577 EFO:0003428 EHDAA2:0000744 EHDAA:973 EMAPA:16847 TAO:0000124 UMLS:C0734013 UMLS:C1514451 XAO:0003266 ZFA:0000124 embryological hepatic plate primordium of the liver uberon hepatic plate liver bud liver endoderm UBERON:0003894 liver primordium UBERON:0003894 The part of the retina that contains neurons and photoreceptor cells[GO]. (...) an essentially similar sequence of events occurs during the embryonic development of the vertebrate eye. The eye initially develops as a single median evagination of the diencephalon that soon bifurcates to form the paired optic vesicles. As each optic vesicle grows towards the body surface, its proximal part narrows as the optic stalk, and its distal part invaginates to form a two-layered optic cup. (...) The outer layer of the optic cup becomes the pigment layer of the retina, whereas the inner layer differentiates into the photoreceptive cells and neuronal layers of the retina.[well established][VHOG] AAO:0011095 BTO:0000929 CALOHA:TS-0685 EHDAA2:0001253 EHDAA:4763 EMAPA:17171 EMAPA:18590 FMA:58628 MA:0000277 TAO:0000046 UMLS:C1518263 VHOG:0000535 XAO:0003216 ZFA:0000046 neural layer of retina neural retina neuroretina stratum nervosum (retina) stratum nervosum retinae uberon neural retinal epithelium UBERON:0003902 retinal neural layer UBERON:0003902 Epithelial tubes transport gases, liquids and cells from one site to another and form the basic structure of many organs and tissues, with tube shape and organization varying from the single-celled excretory organ in Caenorhabditis elegans to the branching trees of the mammalian kidney and insect tracheal system. contrast with a multi-tissue tube, which has as parts both epithelium, connective tissue, possibly muscle layers AEO:0000114 EHDAA2:0003114 FBbt:00007474 epithelial or endothelial tube uberon UBERON:0003914 epithelial tube UBERON:0003914 Kidney mesenchyme is the tissue made up of loosely connected mesenchymal cells in the kidney[GO]. check this mesenchyme of kidney uberon UBERON:0003918 kidney mesenchyme UBERON:0003918 A blood vessel that carries blood from the capillaries toward the heart EMAPA:35932 FMA:86188 MA:0000066 segment of venous tree organ venous tree organ segment uberon UBERON:0003920 Compare to: vein venous blood vessel UBERON:0003920 embryonic structure that develops into pancreatic bud. in EHDAA2 this has dorsal and ventral primordia as parts. the buds are part of the primordium, with the ducts developing from the buds; only parenchyma and ducts have contribution from buds revisit after standardizing terms 'primordium', 'anlagen', 'bud' EFO:0002579 EFO:0003434 EHDAA2:0001382 EHDAA:2163 EMAPA:17066 FMA:79792 TAO:0000254 XAO:0001101 ZFA:0000254 pancreatic primordium uberon pancreatic anlage pancreatic endoderm primordial pancreas UBERON:0003921 pancreas primordium UBERON:0003921 The embryonic pancreas develops from two separate anlagen in the foregut epithelium, one dorsal and two ventral pancreatic buds[PMID]. EFO:0003470 EMAPA:35645 TAO:0001390 UMLS:C1283285 ZFA:0001390 pancreatic bud pancreatic buds uberon pancreas epithelium pancreatic anlage UBERON:0003922 pancreatic epithelial bud UBERON:0003922 pancreatic bud that gives rise to the accessory pancreatic duct. The pancreatic bud that gives rise to the accessory pancreatic duct.[AAO] In chick, Xenopus laevis, and the teleost fish Medaka, the pancreas develops from three buds that emerge from the gut tube, two from its ventral aspect, and one from its dorsal aspect. In mouse, although there are initially three buds that arise from the gut tube at the point of contact between the endoderm and the vasculature, the pancreas develops from only two of these buds, one dorsal and one ventral. (...) In this study, we use a transgenic zebrafish line (...). We provide evidence for the existence of two distinct pancreatic anlagen - a ventral anterior bud and a dorsal posterior bud - that join to form the definitive pancreas (reference 1); The pancreas develops from the fusion of distinct endoderm-derived dorsal and ventral diverticula. In humans, by day 35 of development, the ventral pancreatic bud begins to migrate backwards and comes into contact and eventually fuses with the dorsal pancreatic bud during the sixth week of development (reference 2).[well established][VHOG] AAO:0011031 EFO:0003465 EHDAA2:0001385 EMAPA:17067 TAO:0001370 VHOG:0001428 XAO:0000467 ZFA:0001370 pancreas dorsal primordium duct bud pancreas primordium dorsal bud primary pancreatic bud uberon dorsal pancreas anlage dorsal pancreatic anlage posterior pancreatic anlage posterior pancreatic bud UBERON:0003923 dorsal pancreatic bud UBERON:0003923 pancreatic bud that gives rise to the major pancreatic duct. In chick, Xenopus laevis, and the teleost fish Medaka, the pancreas develops from three buds that emerge from the gut tube, two from its ventral aspect, and one from its dorsal aspect. In mouse, although there are initially three buds that arise from the gut tube at the point of contact between the endoderm and the vasculature, the pancreas develops from only two of these buds, one dorsal and one ventral. (...) In this study, we use a transgenic zebrafish line (...). We provide evidence for the existence of two distinct pancreatic anlagen - a ventral anterior bud and a dorsal posterior bud - that join to form the definitive pancreas (reference 1); The pancreas develops from the fusion of distinct endoderm-derived dorsal and ventral diverticula. In humans, by day 35 of development, the ventral pancreatic bud begins to migrate backwards and comes into contact and eventually fuses with the dorsal pancreatic bud during the sixth week of development (reference 2).[well established][VHOG] The ventral pancreatic bud becomes the head and uncinate process, and comes from the hepatic diverticulum[WP] the ventral pancreas and liver are derived from a common precursor cell population[PMID:16417468]. TODO - add this relationship. AAO:0011111 EFO:0003464 EHDAA2:0001389 EMAPA:17256 TAO:0001369 VHOG:0001429 XAO:0001103 ZFA:0001369 pancreas primordium ventral bud pancreas ventral primordium duct bud uberon anterior pancreatic anlage anterior pancreatic bud ventral pancreas anlage ventral pancreatic anlage UBERON:0003924 ventral pancreatic bud UBERON:0003924 A duct that is part of a digestive system [Automatically generated definition]. TAO:0005162 ZFA:0005162 duct of digestive system duct of gastrointestinal system gastrointestinal system duct uberon UBERON:0003928 digestive system duct UBERON:0003928 An epithelium that lines the lumen of the digestive tract. Epithelium lining the lumen of the gut.[TAO] BTO:0000956 EHDAA2:0004567 EMAPA:32928 MA:0003201 TAO:0005123 UMLS:C0836205 XAO:0003200 ZFA:0005123 digestive tract epithelial tissue epithelial tissue of digestive tract epithelial tissue of gut epithelium of digestive tract epithelium of gut gastrodermis gut epithelial tissue gut epithelium uberon alimentary tract epithelium UBERON:0003929 digestive tract epithelium UBERON:0003929 A transitional population of migrating mesenchymal cells that derive from somites and that will become dermal cells. Not to be confused with 'dermatome segment of skin'. AAO:0011028 AEO:0001017 EHDAA2_RETIRED:0003428 EHDAA:1719 EHDAA:1725 EHDAA:1731 EHDAA:1737 EMAPA:32838 FMA:295656 UMLS:C0180383 XAO:0000220 cutis plate dermatomal mesenchyme uberon epimere mesoderm mesenchyma dermatomiale UBERON:0004016 dermatome UBERON:0004016 The single layer of epithelial cells that lines the early neural tube and develops into the nervous system and into the neural crest cells As the cells adjacent to the lumen continue to divide, the migrating cells form a second layer around the original neural tube. This layer becomes progressively thicker as more cells are added to it from the germinal neuroepithelium. This new layer is called the mantle (or intermediate) zone, and the germinal epithelium is now called the ventricular zone (and, later, the ependyma)[NCBIBook:NBK10047] germinal neuroepithelial layer germinal neuroepithelium original neural tube uberon UBERON:0004022 germinal neuroepithelium UBERON:0004022 One of the fine terminal elements of the bile duct system, leaving the portal canal, and pursuing a course at the periphery of a lobule of the liver[BTO]. the excretory ducts of the liver that connect the interlobular ductules to the right or left hepatic duct[MP] In ZFA, Digestive system duct that collects bile from the canaliculus and transports bile through the liver -- (check if the same) // The smallest and the most peripheral branches of the biliary tree consist of a portal part (portal ductule) and an intralobular part (intralobular ductule) BTO:0002840 TAO:0005164 ZFA:0005164 bile ductule biliary ductule ductuli biliferi uberon bile capillary biliary ductule cholangiole terminal cholangiole UBERON:0004058 biliary ductule UBERON:0004058 The layer of undifferentiated, proliferating cells that line the neural tube lumen that is the immediate transformation of the germinal neuroepithelium consider merging with 'ventricular zone'; note that the MA class probably does not belong here, as this is an embryonic structure The layer of undifferentiated, proliferating cells that line the neural tube lumen ependymal layer EMAPA:17152 EMAPA:35362 EMAPA_RETIRED:16783 MA:0003193 neural tube ependymal layer neural tube ventricular germinal zone neural tube ventricular zone neural tube ependymal zone uberon UBERON:0004060 neural tube ventricular layer UBERON:0004060 The layer of glia and differentiating neurons that forms as a second layer around the germinal neuroepithium; as this develops it comes to lie between the ventricular and marginal layers and includes the basal and alar plates. Develops into neurons and glia forming a gray matter layer. EMAPA:17148 EMAPA:35360 neural tube intermediate zone uberon future brain marginal layer UBERON:0004061 neural tube mantle layer UBERON:0004061 The outermost layer of the neural tube that consists of axons from the developing mantle layer and will form the white matter EMAPA:17151 neural tube marginal zone uberon brain marginal zone UBERON:0004062 neural tube marginal layer UBERON:0004062 The subdivision of the face that includes the eye (eyeball plus adnexa such as eyelids) and the orbit of the skull and associated parts of the face such as the eyebrows, if present note the FMA class is more narrow though, and is more like eye + muscles + vasculature. The FMA also has FMA:72951 orbital part of eye in HP covers eyelid, eyebrow. FMA:260119 content of orbital part of eye eye region orbital part of face uberon ocular and peri-ocular region ocular region orbital content orbital part of eye UBERON:0004088 orbital region UBERON:0004088 2 2 Any tube, opening or passage that connects two distinct anatomical spaces. FMA has both conduit and conduit space. In EHDAA2 this is a surface feature AEO:0000080 EHDAA2:0003080 FMA:242873 foramen foramina uberon opening ostia ostium UBERON:0004111 anatomical conduit UBERON:0004111 An anatomical structure that develops (entirely or partially) from the endoderm. Grouping term for query purposes uberon UBERON:0004119 endoderm-derived structure UBERON:0004119 An anatomical structure that develops (entirely or partially) from the mesoderm. Grouping term for query purposes uberon UBERON:0004120 mesoderm-derived structure UBERON:0004120 An anatomical structure that develops (entirely or partially) from the ectoderm. Grouping term for query purposes uberon UBERON:0004121 ectoderm-derived structure UBERON:0004121 Anatomical system that has as its parts the organs concerned with the production and excretion of urine and those concerned with reproduction. Anatomical system that has as its parts the organs concerned with the production and excretion of urine and those concerned with reproduction.[AAO] relationship type change: differentiates_from intermediate mesoderm (AAO:0010575) CHANGED TO: develops_from intermediate mesoderm (UBERON:0003064)[AAO] Kidneys and gonads (of vertebrates) develop from adjacent tissues, and after the excretory or urinary ducts have developed, the reproductive system usually taps into them or their derivatives.[well established][VHOG] genitourinary urogenital AAO:0000624 BILA:0000122 BTO:0003091 EFO:0003864 EHDAA:1013 EMAPA:16367 EV:0100094 FMA:280610 GAID:362 MESH:D014566 OpenCyc:Mx4rQRpVMgAKEdyHxgDggVfs8g UMLS:C0042066 VHOG:0000286 XAO:0000140 galen:GenitoUrinarySystem urogenital system uberon GU tract UG tract Urogenitalsystem genito-urinary system genitourinary tract urogenital tract UBERON:0004122 genitourinary system UBERON:0004122 The optic vesicle is the evagination of neurectoderm that precedes formation of the optic cup[GO]. Portion of tissue that is comprised of neuroepitheium which has pinched off from the anterior neural keel and will form the optic cup[ZFA]. (...) an essentially similar sequence of events occurs during the embryonic development of the vertebrate eye. The eye initially develops as a single median evagination of the diencephalon that soon bifurcates to form the paired optic vesicles.[well established][VHOG] AAO:0011039 EHDAA2:0001320 EMAPA:16540 FMA:293357 TAO:0000050 UMLS:C0231106 VHOG:0000165 XAO:0000228 ZFA:0000050 uberon evagination eye vesicle ocular vesicle optic vesicles UBERON:0004128 Genes: Six3, Pax6, Rx1 are expressed together in the tip of the neural plate [ISBN:9780878932504 "Developmental Biology"]. Development notes: During subsequent develop- ment, the optic vesicle invaginates and becomes a two-layered structure with an inner neural retina and outer retinal pigment epithelium. As soon as the developing optic vesicle makes contact with the overlying ectoderm, it induces the ectoderm to thicken and form the lens placode [PMID:16496288] optic vesicle UBERON:0004128 The first recognizable structure derived from the heart field TODO - check plate vs rudiment vs primordium vs endocardial tube. See XAO (In vertebrates) The embryonic mesoderm is the source of both the cardiogenic plate, giving rise to the future myocardium as well as the endocardium that will line the system on the inner side.[well established][VHOG] EHDAA2:0000215 EMAPA:16106 VHOG:0000975 myocardial plate uberon cardiac crescent cardiogenic crescent heart rudiment UBERON:0004139 cardiogenic plate UBERON:0004139 A specific region of the lateral mesoderm that will form the primary beating heart tube. In mammals the primary heart field gives rise to the left ventricle. this term denotes the primary heart field; GO:0003128 denotes the superclass of primary and secondary: specific region of the lateral mesoderm into the area which will form the primary beating heart tube[GO:0003138] XAO:0004185 first heart field primary heart field uberon FHF PHF heart field UBERON:0004140 primary heart field UBERON:0004140 An epithelial tube that will give rise to the mature heart. the paired, longitudinal, endothelial-lined channels formed from the cardiogenic mesoderm in embryonic development; angiogenic cell clusters (aka angioblastic cords) located in a horse-shoe shape configuration in the cardiogenic plate coalesce to form the right and left endocardial heart tubes which then fuse in cephalo-caudal direction to form a single primitive heart tube. AAO:0010411 EFO:0003526 EMAPA:32685 TAO:0000360 XAO:0000337 ZFA:0000360 embryonic heart tube endocardial heart tube endocardial tube uberon UBERON:0004141 heart tube UBERON:0004141 A cardiac chamber surrounds an enclosed cavity within the heart FMA:7095 OpenCyc:Mx4rmexpjPdAEduAAAAOpmP6tw chamber of heart heart chamber uberon UBERON:0004151 generic enough to cover FBbt:00003156 heart chamber but this is a cavity. GO defines it as the cavity. TODO - move subclasses. Note this also includes sinus venosus cardiac chamber UBERON:0004151 A thick plate of mesodermal tissue that occupies the space between the thoracic cavity and yolk stalk in the early embryo, forming a transverse partition partially separating the coelomic cavity into thoracic and abdominal portions. It gives rise to the central tendon of the diaphragm[VHOG]. A thick plate of mesodermal tissue that occupies the space between the thoracic cavity and yolk stalk in the early embryo, forming a transverse partition partially separating the coelomic cavity into thoracic and abdominal portions. It gives rise to the central tendon of the diaphragm. [TFD][VHOG] In hagfishes a transverse septum extends upward from the ventral body wall posterior to the heart, partly separating an anterior pericardial cavity from a larger peritoneal cavity. (...) These basic relationships have not been modified by urodeles. The small pericardial cavity remains far forward where it is separated by a transverse septum from the principal coelom, which may now be called a pleuroperitoneal cavity because slender lungs are present. (...) The heart (of other tetrapods) is separated from the lungs (and liver if present) by more or less horizontal partitions that have their origin in the embryo as folds on the serous membrane of the right and left lateral body walls. These grow out to join in the midline of the body. They are called lateral mesocardia (birds) or pleuropericardial membranes. Posteriorly they join the transverse septum to form the adult pericardial membrane, or pericardium. (...) In their partitioning of their coelom, embryonic mammals resemble first early fishes (incomplete partition, posterior to heart, consisting of the transverse septum) and then reptiles (pericardium derived from transverse septum and pleuropericardial membranes) Mammals then separate paired pleural cavities from the peritoneal cavity by a diaphragm. The ventral portion of this organ comes from the transverse septum. The dorsal portion is derived from the dorsal mesentery and from still another pair of outgrowths from the lateral body wall, the pleuroperitoneal membranes.[well established][VHOG] The cranial part of the septum transversum gives rise to the central tendon of the diaphragm and is the origin of the myoblasts that invade the pleuroperitoneal folds resulting in the formation of the muscular diaphragm. The caudal part of the septum transversum is invaded by the hepatic diverticulum which divides within it to form the liver and thus gives rise to the ventral mesentery of the foregut. in EHDAA2 this is divided into mesenchymal portion and hepatic diverticulum EHDAA2:0001829 EHDAA:736 EMAPA:16318 FMA:295593 UMLS:C0231004 VHOG:0000019 transverse septum uberon UBERON:0004161 septum transversum UBERON:0004161 The internal genitalia are the internal sex organs such as the uterine tube, the uterus and the vagina in female mammals, and the testis, seminal vesicle, ejaculatory duct and prostate in male mammals FMA:45652 internal genitalia internal genitals uberon internal reproductive organ internal sex organ UBERON:0004175 TODO: make a subdivision of reproductive system. Relabel. See https://github.com/obophenotype/uberon/issues/547 internal genitalia UBERON:0004175 The external genitalia are the outer sex organs, such as the penis or vulva in mammals FMA:45643 external genitalia uberon external reproductive organ external sex organ UBERON:0004176 TODO: make a subdivision of reproductive system. Relabel. See https://github.com/obophenotype/uberon/issues/547 external genitalia UBERON:0004176 A portions of the gut that is derived from endoderm. EMAPA:32930 endodermal gut gut endoderm uberon UBERON:0004185 endodermal part of digestive tract UBERON:0004185 A muscle that is part of the eye region. AAO:0000156 EMAPA:35335 MA:0000271 OpenCyc:Mx8Ngx4rwKSh9pwpEbGdrcN5Y29ycB4rvViTvpwpEbGdrcN5Y29ycB4rvYA8cJwpEbGdrcN5Y29ycA uberon UBERON:0004277 eye muscle UBERON:0004277 Anatomical cluster that consists of all the skeletal elements (eg., bone, cartilage, and teeth) of the body. Anatomical cluster that consists of all the skeletal elements (eg., bone, cartilage, and teeth) of the body.[VSAO] skeletal AEO:0000168 EHDAA2:0001843 EHDAA:5047 EMAPA:17213 FMA:23875 GAID:177 MA:0003006 MAT:0000032 MESH:D012863 MIAA:0000032 OpenCyc:Mx4rvVi1rpwpEbGdrcN5Y29ycA VSAO:0000026 XAO:0004053 galen:Skeleton set of all bones set of bones of body uberon UBERON:0004288 skeleton https://github.com/obophenotype/uberon/wiki/The-skeletal-system UBERON:0004288 The bilaminar epithelium formed from the myotome and dermatome. Epithelial sheet on the external surface of the somite that gives rise to trunk, muscle and dermis. Within the dermomyotome there is also a medio-lateral difference. The central region makes dermis, the mesenchymal connective tissue of the back skin. The medial region (closest to neural tube) makes epaxial muscle, and the lateral region (furthest from neural tube) makes hypaxial muscle[http://www.ncbi.nlm.nih.gov/bookshelf/br.fcgi?book=eurekah&part=A66768]. Epithelial sheet on the external surface of the somite that gives rise to trunk, muscle and dermis.[TAO] Portion of somites that gives rise to dermis and muscles.[AAO] all but the sclerotome of a mesodermal somite; the primordium of skeletal muscle and, perhaps, of the dermis. Thus, representatives of the agnathan vertebrates, chondrichthyans, and sarcopterygians all have a layer of undifferentiated cells external to the embryonic myotome. In the amniotes, this external cell layer is the dermomyotome. The simplest interpretation of the similar position, morphology, and lack of myosin labeling is that a dermomyotome epithelium is a shared, ancestral vertebrate characteristic.[well established][VHOG] AAO:0010572 AEO:0000214 EHDAA2:0003259 EMAPA:31109 FMA:295654 TAO:0001513 UMLS:C1511786 VHOG:0000676 ZFA:0001513 uberon dermamyotome dermomyotomes UBERON:0004290 dermomyotome UBERON:0004290 A cone-like structure that is formed when myocardial progenitor cells of the heart field fuse at the midline. The heart rudiment is the first structure of the heart tube. The migrating myocardial precursors of the heart rudiment form a cone like structure between 19.5hpf and 22hpf, and eventually telescope out into the primitive heart tube at 24hpf. Stainier 2001.[TAO] TAO:0000115 ZFA:0000115 heart cone rudimentary heart uberon UBERON:0004291 heart rudiment UBERON:0004291 Distal-most phalanx within a digit. In human anatomy, the distal phalanges of the four fingers and toes articulate proximally with the intermediate phalanges at the distal interphalangeal joints (DIP); in the thumb and big toe, with only two phalanges, the distal phalanges articulate proximally with the proximal phalanges. The distal phalanges carry and shape nails and claws and are therefore occasionally referred to as the ungual phalanges. The distal phalanges are cone-shaped in most mammals, including most primates, but relatively wide and flat in humans. AAO:0010676 EMAPA:35287 MA:0002914 phalanx distalis terminal phalanx ungual phalanx uberon phalanx distalis UBERON:0004300 distal phalanx UBERON:0004300 A phalanx located between proximal and distal phalanges. consider using numbering system, and axioms to the effect that there is a single middle phalanx per finger in humans. This should perhaps be renamed 'intermediate phalanx', leaving the term middle phalanx open for the specific intermediate phalanx of a 3-phalanx digit Intermediate phalanges are bones found in the limbs of most vertebrates. In humans, they are the bones of the finger and toe which lie in the middle, between the two wrinkly joints. The thumb and big toe do not have intermediate phalanges. In most other vertebrates, they have a corresponding place in their limbs, whether they be paw, wing, hoof or fin in some groups such as whales, there are multiple intermediate phalanges AAO:0010677 EMAPA:35572 MA:0002915 intermediate phalanx uberon medial phalanx penultimate phalanx phalanx 2 phalanx II UBERON:0004301 middle phalanx UBERON:0004301 Proximal-most phalanx within a digit. Proximal phalanges are bones found in the limbs of most vertebrates. In humans, they are the bones at the base of a toe or finger, the prominent, knobby ends of which are often called the knuckles. In other vertebrates, proximal phalanges have a similar placement in the corresponding limbs, be they paw, wing or fin. In many species, they are the longest and thickest phalanx ('finger' bone) 1 AAO:0010680 EMAPA:35716 MA:0002916 phalanx 1 phalanx I proximal-most phalanx uberon UBERON:0004302 proximal phalanx UBERON:0004302 The primitive streak is a structure that forms during the early stages of avian, reptilian and mammalian embryonic development[WP]. the midline ridge of the embryonic epiblast that later develops into mesoderm and endoderm[MP] (...) the blastopore equivalent of chordates (germ ring in fish, marginal zone/blastopore lip in frog and node/primitive streak in chick and mouse) (...) (reference 1); Indeed, the primitive streak has been considered the homologue of the blastopore since the 1870s (reference 2).[well established][VHOG] VHOG includes a very broad grouping here based on http://www.ncbi.nlm.nih.gov/pubmed/9609826 EHDAA2:0001525 EHDAA:185 EMAPA:16072 FMA:293110 UMLS:C0033153 VHOG:0001202 primitive streak - blastopore - germ ring uberon UBERON:0004341 primitive streak UBERON:0004341 An outgrowth on the lateral trunk of the embryo that develops into a limb. The limb bud is divided into ectoderm and mesenchyme[cjm, modified from MP]. Early outgrowth of presumptive limb.[AAO] AAO:0010375 BTO:0001640 EMAPA:35944 FMA:296780 GAID:1307 MESH:A16.254.462 UMLS:C0282505 XAO:0003161 limb buds limbbud uberon gemmae membrorum UBERON:0004347 developmentally_induced_by Fgf10, capable of initiating limb forming interactions between endoderm and mesoderm limb bud UBERON:0004347 The embryonic structure that gives rise to the corneal ectoderm EHDAA:938 EMAPA:16322 RETIRED_EHDAA2:0001308 VHOG:0001296 uberon UBERON:0004348 optic eminence UBERON:0004348 multilayered ectodermal region at the distal tip of a limb or fin bud necessary for the proper development of the underlying mesenchyme[MP,modified]. Along with the zone of polarizing activity, it is a crucial organizing region during limb development[WP]. note that media, dorsal fins etc have AERs. Distal ectodermal thickening which forms along the anterior-posterior limb axis. Signaling from this region influences proximal-distal patterning of the limb. Structure is missing in some lineages (salamanders, Eleutherodactylus coqui) however morphologically their indistinct distal ectoderm may still be involved in signaling.[AAO] Proliferative region that is part of the developing fin fold or fin.[TAO] relationship loss: subclass proliferative region (TAO:0000098)[TAO] The AER of tetrapods regresses after specification of skeletal progenitors, the AER of teleosts form an elongating fin fold maintaining mesenchyme in plastic proliferating state; maintaining expression of A-P axis genes; interacting with D-V proteins. Genes: AER induced by Fgf10 in mesenchyme. AER secretes Fgf8, which stimulates mitosis in the mesenchyme causing Fgf10 production - positive feedback loop AAO:0010760 EMAPA:32744 TAO:0002146 UMLS:C1516037 XAO:0004121 ZFA:0001702 apical epidermal ridge uberon AER crista ectodermalis apicalis UBERON:0004356 apical ectodermal ridge UBERON:0004356 An outgrowth on the lateral trunk of the embryo that develops into a limb or paired fin. The limb/fin bud is divided into ectoderm and mesenchyme[cjm, modified from MP]. The tetrapod limb is derived from a posterior part of the fin endoskeleton of elasmobranchs and basal bony fish, the so-called metapterygium, a series of endoskeletal elements that is the first to form in the developing paired fins. (...) In addition, there is an independent endoskeletal element called the protopterygium that develops anterior to the metapterygium in many basal fishes (e.g., the bichir and sturgeon). Teleosts have lost the metapterygium whereas the sarcopterygians, on the other hand, have lost the protopterygium. Sarcopterygians thus develop all their endoskeletal structures from the metapterygium and consequently the tetrapod limb skeleton is derived from the metapterygium.[uncertain][VHOG] VHOG:0001258 limb - fin bud paired appendage bud paired limb/fin bud uberon UBERON:0004357 Genes: In limb buds of chick and mouse, Shh expression is activated as soon as there is a morphological bud, whereas in S. canicula fin buds, consistent with reported data in other cartilaginous fishes, Shh is transcribed late in fin development[PMID:17187056] paired limb/fin bud UBERON:0004357 A transparent homogeneous acellular layer, 6 to 9 um thick, lying between the basal lamina of the outer layer of stratified epithelium and the substantia propria of the cornea; it is considered to be a basement membrane. Acellular anatomical structure that is the zone of collagen fibers adjacent the basement membrane of the corneal epithelium.[TAO] Compared to terrestial animals, the cornea of zebrafish is relatively flat. It consists of nonpigmented, stratified squamous nonkeratinizing epithelial cells, attached to a thick basement membrane that is considered to be analogous to the Bowman's membrane in mammals FMA:58273 MA:0001240 TAO:0002155 UMLS:C0229127 ZFA:0001684 Bowman's anterior elastic lamina Bowman's layer Bowman's membrane anterior elastic lamina anterior limiting lamina anterior limiting lamina of cornea lamina limitans anterior (cornea) lamina limitans anterior corneae uberon Reichert's membrane anterior limiting membrane UBERON:0004370 anterior limiting lamina of cornea UBERON:0004370 A bone that is part of an appendage [Automatically generated definition]. appendage bone bone of appendage bone of free segment of appendicular skeleton uberon UBERON:0004375 bone of free limb or fin UBERON:0004375 The collection of all skeletal elements in an individual limb. Skeletal subdivision that is part of the limb.[VSAO] EHDAA2 considers hip and shoulder joints part of limb skeleton. EHDAA2:0002221 EMAPA:32702 VSAO:0000300 free limb skeleton limb skeleton set of bones of limb uberon UBERON:0004381 skeleton of limb UBERON:0004381 Sum of all sensory systems in an organism. note the distinct between entire sensory system and individual system. this reconciles is_a and part_of distinctions between ssAOs FMA:78499 sense organ system uberon UBERON:0004456 entire sense organ system UBERON:0004456 A projection or outgrowth of tissue from a larger body or organ. should be declared disjoint from organ, but in some ontologies (e.g. ZFA), structures such as neural spines are classified as bones (and hence organs) Anatomical structure that is a natural outgrowth, projection, or appendage. A process can be part of a bone, cartilage, or tissue.[AAO] Anatomical structure that is a natural outgrowth, projection, or appendage. A process can be part of a bone, cartilage, tissue, fin, scale, etc.[TAO] Anatomical structure that is a natural outgrowth, projection, or appendage. A process can be part of a bone, cartilage, tissue, fin, scale, etc.[VSAO] anatomical process process AAO:0010278 FMA:67601 HAO:0000822 TAO:0001834 VSAO:0000180 XAO:0004020 galen:Ridge processus projection flange flanges lamella lamellae lamina laminae organ process papilla process of organ processes projection projections ridge ridges shelf shelves uberon anatomical protrusion protrusion spine UBERON:0004529 anatomical projection UBERON:0004529 Anatomical system that has as its parts the heart and blood vessels. we treat cardiovascular as part of circulatory system, with the latter including other kinds of circulation, including lymph. The vessels of the cardiovascular system are as varied as the diverse organs they supply. However, these variations are based on modifications of a fundamental plan of organization common to vertebrates.[well established][VHOG] AAO:0011001 BILA:0000016 BTO:0000088 CALOHA:TS-1297 EFO:0000791 EHDAA2:0000216 EHDAA:394 EMAPA:16104 EMAPA:16370 EV:0100017 FMA:7161 GAID:467 MA:0000010 MAT:0000016 MESH:D002319 MIAA:0000016 OpenCyc:Mx4rvVjzG5wpEbGdrcN5Y29ycA TAO:0000010 UMLS:C0007226 VHOG:0000302 WikipediaCategory:Cardiovascular_system XAO:0000100 XAO:0001010 ZFA:0000010 uberon CV system Herz und Gefaesssystem UBERON:0004535 cardiovascular system UBERON:0004535 A vascular network consisting of blood vessels. TAO:0001079 ZFA:0001079 blood vascular network set of blood vessels uberon blood system blood vessel system blood vessels UBERON:0004537 blood vasculature UBERON:0004537 The part of the cardiovascular system consisting of all arteries. The appearance of Chordata and subsequently the vertebrates is accompanied by a rapid structural diversification of this primitive linear heart: looping, unidirectional circulation, an enclosed vasculature, and the conduction system.[well established][VHOG] BTO:0004690 EHDAA2:0000143 EHDAA:396 EMAPA:16201 EMAPA:16371 MA:0002719 VHOG:0000273 uberon UBERON:0004572 arterial system UBERON:0004572 The part of the cardiovascular system consisting of all venous vessels. In vertebrates with a double circulation, this can be divided into systemic and pulmonary portions. The appearance of Chordata and subsequently the vertebrates is accompanied by a rapid structural diversification of this primitive linear heart: looping, unidirectional circulation, an enclosed vasculature, and the conduction system.[well established][VHOG] BTO:0004692 EHDAA2:0002171 EHDAA:486 EMAPA:16240 MA:0002720 UMLS:C1267406 VHOG:0000277 vein system uberon UBERON:0004582 venous system UBERON:0004582 A structure, usually a circular muscle, that normally maintains constriction of a natural body passage or orifice and which relaxes as required by normal physiological functioning. FMA class is not a subtype of muscle FMA:75004 UMLS:C1409894 sphincter uberon circular muscle UBERON:0004590 sphincter muscle UBERON:0004590 the polygonal structure of the liver that consists of hepatocytes radiating outward from a hepatic vein should not be confused with the anatomic lobes of the liver (caudate lobe, quadrate lobe, left lobe, and right lobe), or any of the functional lobe classification systems.[WP] EMAPA:35499 FMA:14471 MA:0002494 UMLS:C0227518 hepatic lobule lobuli hepatici lobulus hepaticus uberon lobules of liver lobuli hepatis UBERON:0004647 liver lobule UBERON:0004647 An appendage that is part of a appendage girdle complex. this class is the union of the classes limb, pectoral fin and pelvic fin. UBERON:0009872 VSAO:0000067 girdle-associated appendage limb or fin limb/fin pectoral or pelvic appendage pelvic/pectoral appendage jointed paired lateral appendage paired appendage uberon UBERON:0004708 paired limb/fin UBERON:0004708 The embryo and its adnexa (appendages or adjunct parts) or associated membranes (i.e. the products of conception) The conceptus includes all structures that develop from the zygote, both embryonic and extraembryonic. It includes the embryo as well as the embryonic part of the placenta and its associated membranes - amnion, chorion (gestational sac), and yolk sac[WP]. EHDAA2 places this as a subtype of organism. This leads to the inference that a conceptus is an embryo (if an embryo is defined as an organism at embryo stage), which eliminates the embryonic + extra-embryonic = conceptus AEO:0000194 BTO:0003834 EHDAA2:0000001 EHDAA2:0003235 EMAPA:36040 UMLS:C1516779 embryo plus adnexa uberon UBERON:0004716 conceptus UBERON:0004716 Any segmental subdivision of a nervous system. Includes metameric developmental segments, such as vertebrates neuromeres. revisit this after CARO is revised and/or we have defined metameric segment; note that with the additional of an A/P axis constraint this corresponds to what Richter at al call a neuromere (PMID:21062451) FBbt:00005140 uberon neuromere UBERON:0004732 segmental subdivision of nervous system UBERON:0004732 An organ subunit that is part of a hindbrain [Automatically generated definition]. FMA:61998 hindbrain segment segment of hindbrain uberon UBERON:0004733 segmental subdivision of hindbrain UBERON:0004733 Organism at the gastrula stage. We explicitly merge the NCITA terms here UBERON:0007012 BILA:0000060 BTO:0001403 FBbt:00005317 FMA:293108 GAID:1302 MESH:A16.254.412 MIAA:0000179 UMLS:C0017199 UMLS:C1284022 gastrula embryo uberon blastocystis trilaminaris tri-laminar disc tri-laminar disk trilaminar blastocyst trilaminar blastoderm trilaminar disc trilaminar disk trilaminar germ UBERON:0004734 gastrula UBERON:0004734 A specialized form of connective tissue in which the extracellular matrix is firm, providing the tissue with resilience, and/or mineralized and that functions in mechanical and structural support.[VSAO] A specialized form of connective tissue in which the extracellular matrix is firm, providing the tissue with resilience, and/or mineralized and that functions in mechanical and structural support.[VSAO] MA:0003047 VSAO:0000015 XAO:0004038 ZFA:0005619 uberon UBERON:0004755 Four classes of mineralized tissues are found in vertebrates: bone, cartilage, dentine, and enamel. We think of cartilage and bone as skeletal tissues and of enamel and dentine as dental tissues, but enamel and dentine arose evolutionarily together with bone as skeletal tissues in the dermal skeleton (exoskeleton) of early vertebrates. Scales and teeth of sharks are examples of dermal skeletal elements that are still composed of the three ancient components-enamel, dentine, and bone. Cartilage, on the other hand, provided the basis for the second vertebrate skeletal system, the endoskeleton (Smith and Hall, 1990; Hall, 1998a,b). some invertebrate skeletal tissues have surprisingly bone-like features. Examples include chondrocytes interconnected by cell processes in cephalopod cartilages (Cole and Hall, 2004a,b), and the calcium phosphate layer in the shells of brachiopods (Rodland et al., 2003). However, neither bone nor mineralized cartilage have been found in invertebrates. Editors notes: TODO - develops_from skeletal tissue UBERON:0004755 Organ consisting of skeletal tissue. Encompasses whole bones, fused bones, cartilaginious elements, teeth, dermal denticles. Organ entity that is typically involved in mechanical support and may have different skeletal tissue compositions at different stages.[VSAO] Organ entity that may have different tissue compositions at different stages and is typically involved in mechanical support.[TAO] AAO:0011129 TAO:0001890 VSAO:0000128 XAO:0004012 ZFA:0005494 galen:SkeletalStructure uberon UBERON:0004765 skeletal element UBERON:0004765 Anatomical system that consists of all the joints of the body. EMAPA:35150 FMA:23878 MA:0003007 VSAO:0000181 joint system set of all joints of body uberon set of all joints set of joints of body UBERON:0004770 articular system UBERON:0004770 A mucosa that is part of a gastrointestinal system. BTO:0000546 BTO:0005568 EMAPA:36591 MA:0001521 digestive tract mucosa gut mucosa gut mucuous membrane mucosa of gut uberon UBERON:0004786 The gut mucosa of amphioxus has insulin-secreting cells. http://www.ncbi.nlm.nih.gov/pubmed/16417468 gastrointestinal system mucosa UBERON:0004786 An epithelium that is part of a digestive system [Automatically generated definition]. EMAPA:32683 MA:0001520 digestive system epithelial tissue digestive system epithelium epithelial tissue of digestive system epithelial tissue of gastrointestinal system epithelium of digestive system epithelium of gastrointestinal system gastrointestinal system epithelial tissue uberon UBERON:0004808 gastrointestinal system epithelium UBERON:0004808 the cellular avascular layer of the kidney luminar surfaces BTO:0000059 CALOHA:TS-0505 EMAPA:35457 MA:0002846 epithelial tissue of kidney epithelium of kidney kidney epithelial tissue uberon renal epithelium UBERON:0004819 kidney epithelium UBERON:0004819 Layer of lateral plate mesoderm that forms the circulatory system and future gut wall - overlies endoderm[WP]. We group the BILA class here. Considering adding more general class for metazoa grouping cardiogenic successors visceral mesoderm AAO:0011102 BILA:0000044 FMA:295568 XAO:0000276 inner layer of lateral plate mesoderm uberon splanchnic mesoderm UBERON:0004872 splanchnic layer of lateral plate mesoderm UBERON:0004872 A structure created during embryogenesis when the lateral mesoderm splits into two layers - the outer (or somatic) layer becomes applied to the inner surface of the ectoderm, and with it forms the somatopleure.[WP]. Gives rise to the paired appendages in jawed vertebrates. a persistent somatopleure through the redistribution and expansion of the lateral plate mesoderm is a synapomorphy for gnathostomes and a critical step in generating a novel developmental module with dramatic evolutionary potentia (Tulenko et al. 2012) http://burkelab.research.wesleyan.edu/current-projects/lamprey/ sources differ as to whether this is part-of or develops-from the LPM EHDAA2:0001847 EHDAA:381 EMAPA:16180 FMA:295566 UMLS:C1519423 VHOG:0000557 uberon UBERON:0004874 somatopleure UBERON:0004874 A portion of the urogenital ridge which is the source of much of the urinary system[WP]. FMA:72168 UMLS:C1283944 uberon chorda nephrogenica UBERON:0004875 part_of or develops_from urogenital ridge? nephrogenic cord UBERON:0004875 One of of the pair of folds derived from the cloacal folds which give rise to a portion of the external genitalia; in male embryos they close over the urethral plate and fuse to form the spongy (penile) urethra and ventral aspect of the penis, not including the glans; failure of fusion of the urethral folds leads to hypospadias; in female embryos they fuse only anterior to the anus and form the labia minora[MP]. Less commonly, urogenital fold refers to the fold in the mesonephros which is the precursor of e.g. the suspensory ligament of the ovary. This is the case in older versions of Gray's anatomy[WP] EHDAA2:0004022 EMAPA:30888 FMA:321919 urethral fold urogenital fold uberon urogenital ridge UBERON:0004876 urogenital fold UBERON:0004876 The central region of trunk mesoderm. This tissue forms the notochord Notochord rudiment[ZFIN:ZDB-PUB-961014-576]. WP treats this as synonym of axial mesoderm. Induces neural tube. Gilbert: contains an anterior head process and the notochord. AAO:0000478 EFO:0003426 TAO:0000091 ZFA:0000091 axial chorda mesoderm chorda mesoderm dorsal mesoderm presumptive notochord uberon UBERON:0004880 chordamesoderm UBERON:0004880 Anatomical cluster that connects two or more adjacent skeletal elements or hardened body parts. FBbt:00005811 joint uberon UBERON:0004905 articulation UBERON:0004905 EHDAA2:0000171 EMAPA:16561 EMAPA_RETIRED:16565 VHOG:0001351 uberon hepatic diverticulum UBERON:0004912 biliary bud UBERON:0004912 A dilation of the duodenal papilla that is the opening of the juncture of the common bile duct and the main pancreatic duct. Ampulla formed by the union of the pancreatic duct and the common bile duct where they enter the intestine.[TAO] CALOHA:TS-2348 FMA:15076 GAID:283 MESH:A03.159.183.079.300.900 TAO:0005167 UMLS:C0042425 ZFA:0005167 galen:AmpullaOfVater Vater's ampulla ampulla biliaropancreatica ampulla of Vater ampulla of bile duct biliaropancreatic ampulla papilla Vateri uberon ampulla Vaterii ampulla hepatopancreatica papilla duodeni major UBERON:0004913 hepatopancreatic ampulla UBERON:0004913 One of the two small elevations on the mucosa of the duodenum, the major at the entrance of the conjoined pancreatic and common bile ducts and the minor at the entrance of the accessory pancreatic duct. EMAPA:18662 FMA:15953 MA:0003107 papilla duodenalis papilla of duodenum uberon papilla duodeni UBERON:0004914 duodenal papilla UBERON:0004914 A proximal-distal subdivision of the digestive tract. intended to denote both embryonic and adult structures. Note the FMA grouping here is not quite correct. FBbt:00100315 FMA:71131 uberon alimentary system subdivision intestinal tract segment of intestinal tract subdivision of alimentary system UBERON:0004921 subdivision of digestive tract UBERON:0004921 A part of a wall of an organ that forms a layer. FMA:82485 uberon UBERON:0004923 organ component layer UBERON:0004923 A mucosa that is part of a pylorus [Automatically generated definition]. BTO:0004110 EMAPA:27199 FMA:17461 mucosa of organ of pyloric part of stomach mucosa of organ of pylorus mucosa of organ of stomach pyloric region mucosa of pyloric part of stomach mucosa of stomach pyloric region mucous membrane of pyloric part of stomach mucous membrane of pylorus mucous membrane of stomach pyloric region organ mucosa of pyloric part of stomach organ mucosa of pylorus organ mucosa of stomach pyloric region pyloric part of stomach mucosa pyloric part of stomach mucosa of organ pyloric part of stomach mucous membrane pyloric part of stomach organ mucosa pylorus mucosa pylorus mucosa of organ pylorus mucous membrane pylorus organ mucosa stomach pyloric region mucosa stomach pyloric region mucosa of organ stomach pyloric region mucous membrane stomach pyloric region organ mucosa uberon antropyloric mucosa UBERON:0004998 mucosa of pylorus UBERON:0004998 The median dorsal longitudinal groove formed in the embryo by the neural plate after the appearance of the neural folds. The neural groove is a shallow median groove between the neural folds of an embryo. The neural folds are two longitudinal ridges that are caused by a folding up of the ectoderm in front of the primitive streak of the developing embryo. The groove gradually deepens as the neural folds become elevated, and ultimately the folds meet and coalesce in the middle line and convert the groove into a closed tube, the neural tube or canal, the ectodermal wall of which forms the rudiment of the nervous system. After the coalescence of the neural folds over the anterior end of the primitive streak, the blastopore no longer opens on the surface but into the closed canal of the neural tube, and thus a transitory communication, the neurenteric canal, is established between the neural tube and the primitive digestive tube. The coalescence of the neural folds occurs first in the region of the hind-brain, and from there extends forward and backward; toward the end of the third week the front opening (anterior neuropore) of the tube finally closes at the anterior end of the future brain, and forms a recess which is in contact, for a time, with the overlying ectoderm; the hinder part of the neural groove presents for a time a rhomboidal shape, and to this expanded portion the term sinus rhomboidalis has been applied. Before the neural groove is closed a ridge of ectodermal cells appears along the prominent margin of each neural fold; this is termed the neural crest or ganglion ridge, and from it the spinal and cranial nerve ganglia and the ganglia of the sympathetic nervous system are developed. By the upward growth of the mesoderm the neural tube is ultimately separated from the overlying ectoderm. The cephalic end of the neural groove exhibits several dilatations, which, when the tube is closed, assume the form of three vesicles; these constitute the three primary cerebral vesicles, and correspond respectively to the future fore-brain (prosencephalon), mid-brain (mesencephalon), and hind-brain (rhombencephalon). The walls of the vesicles are developed into the nervous tissue and neuroglia of the brain, and their cavities are modified to form its ventricles. The remainder of the tube forms the medulla spinalis or spinal cord; from its ectodermal wall the nervous and neuroglial elements of the medulla spinalis are developed while the cavity persists as the central canal[Wikipedia:Neural_groove]. AAO:0011071 EMAPA:35594 FMA:295624 UMLS:C0814992 XAO:0000248 uberon UBERON:0005061 neural groove UBERON:0005061 One of the two elevated edges of the neural groove[GO,MP]. In front of the primitive streak two longitudinal ridges, caused by a folding up of the ectoderm, make their appearance, one on either side of the middle line. These are named the neural folds; they commence some little distance behind the anterior end of the embryonic disk, where they are continuous with each other, and from there gradually extend backward, one on either side of the anterior end of the primitive streak. Also, after differentiation it turns into the neural tubes[Wikipedia:Neural_fold]. EHDAA2:0001249 EMAPA:16142 EMAPA:16146 EMAPA:16151 EMAPA:16155 EMAPA:16159 EMAPA:16162 EMAPA:16288 EMAPA:16292 EMAPA:16295 EMAPA:16299 EMAPA:16303 EMAPA:16307 EMAPA:16528 FMA:295618 UMLS:C0814993 XAO:0004087 medullary fold uberon UBERON:0005062 neural fold UBERON:0005062 A solid rod of neurectoderm derived from the neural keel. The neural rod is roughly circular in cross section. Neural rod formation occurs during primary neurulation in teleosts[GO]. An intermediate stage in the development of the central nervous system present during the segmentation period; the neural rod is roughly cylindrical in shape, forms from the neural keel, and is not yet hollowed out into the neural tube[ZFIN]. An intermediate stage in the development of the central nervous system present during the segmentation period; the neural rod is roughly cylindrical in shape, forms from the neural keel, and is not yet hollowed out into the neural tube. Kimmel et al, 1995.[TAO] EFO:0003498 TAO:0000133 ZFA:0000133 uberon neural tube rod UBERON:0005068 neural rod UBERON:0005068 The portion of the ureteric bud tube that contributes to the morphogenesis of the metanephros[GO]. uberon UBERON:0005080 metanephric ureteric bud UBERON:0005080 The portion of the ureteric bud that contributes to the morphogenesis of the ureter. The ureter ureteric bud is the initial structure that forms the ureter[GO]. uberon UBERON:0005081 ureter ureteric bud UBERON:0005081 An ectodermal placode is a thickening of the ectoderm that is the primordium of many structures derived from the ectoderm[GO] consder adding placodal ectoderm as a distinct class? Also place placodal ectoderm as develops_from ectoderm; need to check taxon-appropriateness With the exception of the adenohypophysis, homologues of the nonneurogenic placodes (e.g. placodes giving rise to the teeth, hair follicles and lens), appear to be lacking in invertebrate chordates. in GO, covers optic, otic, olfactory, mammary, hair, tooth, sebaceous. AEO:0000218 FMA:293966 uberon epithelial placode UBERON:0005085 ectodermal placode UBERON:0005085 Muscle structures are contractile cells, tissues or organs that are found in multicellular organisms[GO]. in some organisms such as drosophila, muscles can be single cells. This class groups together all discrete muscle elements, from multicellular muscle organs in vertebrates, to individual single-cell muscles in drisophila EMAPA:32715 FBbt:00005073 FMA:30316 musculus uberon muscle muscle element UBERON:0005090 muscle structure UBERON:0005090 . class added for consistency with GO - consider merging with kidney mesenchyme. uberon kidney anlage UBERON:0005095 kidney rudiment UBERON:0005095 An epithelium that is part of a mesonephros [Automatically generated definition]. uberon UBERON:0005103 mesonephric epithelium UBERON:0005103 Any anatomical structure that is part of the reproductive system. reproductive system element reproductive system structure uberon UBERON:0005156 reproductive structure UBERON:0005156 An epithelial sheet bent on a linear axis. uberon UBERON:0005157 epithelial fold UBERON:0005157 A structure consisting of multiple cell components but which is not itself a cell and does not have (complete) cells as a part. we go with the FMA classification rather than the CARO one. FMA def: 'Anatomical cluster which has as direct parts cell parts from two or more cells.' AAO:0011000 CARO:0001000 FBbt:00007060 FMA:83115 multi-cell-component structure multi-cell-part structure uberon cell part cluster UBERON:0005162 multi cell part structure UBERON:0005162 Any portion of the ducts that carry bile from the liver to the common bile duct. This may include both intrahapetic components (parts of left and right hepatic ducts) and extrahapetic components (common hepatic duct, plus hilar portion). TODO - MA distinguishes between bile duct, hepatic duct, common bile duct and common hepatic duct. in FMA hepatic duct and common hepatic duct are the same A duct that carries bile from the liver to the small intestine.[TAO] A duct that carries bile from the liver to the small intestine[ZFA]. The excretory duct of the liver or one of its branches in the lobes of the liver. [TFD][VHOG] The hepatic duct is the duct that leads from the liver to the bile duct[GO]. EHDAA2:0000741 EHDAA:3049 EMAPA:16843 FMA:71891 MA:0000357 OpenCyc:Mx4rvWo8WJwpEbGdrcN5Y29ycA UMLS:C0917710 VHOG:0000219 galen:HepaticDuct uberon UBERON:0005171 hepatic duct UBERON:0005171 An organ or element that is in the abdomen. Examples: spleen, intestine, kidney, abdominal mammary gland. MA:0000522 abdomen organ uberon UBERON:0005172 abdomen element UBERON:0005172 An organ or element that is part of the adbominal segment of the organism. This region can be further subdivided into the abdominal cavity and the pelvic region. MA:0000529 abdominal segment organ uberon UBERON:0005173 abdominal segment element UBERON:0005173 An organ or element that part of the dorsum of the organism. Examples: spinal cord, vertebrae, muscles of back. MA:0001901 back organ dorsal region organ uberon UBERON:0005174 dorsal region element UBERON:0005174 An organ or element that part of the trunk region. The trunk region can be further subdividied into thoracic (including chest and thoracic cavity) and abdominal (including abdomen and pelbis) regions. MA:0000516 trunk organ uberon UBERON:0005177 trunk region element UBERON:0005177 An organ or element that is in the thoracic cavity. Examples: lung, heart, longus colli. MA:0000557 thoracic cavity organ uberon UBERON:0005178 thoracic cavity element UBERON:0005178 An organ or element that is part of the pelvic region. Examples: reproductive organs (in some organisms), urinary bladder, bones of the pelvis. MA:0000543 pelvic element pelvis organ pelvis region organ uberon UBERON:0005179 pelvic region element UBERON:0005179 An organ that part of the thoracic segment region. This region can be further subdividied chest and thoracic cavity regions. MA:0000563 uberon upper body organ UBERON:0005181 thoracic segment organ UBERON:0005181 Portion of primordial embryonic connective tissue of the developing head, consisting of mesenchymal cells supported in interlaminar jelly, that derive mostly from the mesoderm and contribute to head connective tissue, bone and musculature in conjunction with cranial neural crest cells. Mesoderm that will give rise, along with cranial neural crest cells, to connective tissue, bone and musculature in the head. (Source: BioGlossary, www.Biology-Text.com)[TAO] EFO:0003492 EHDAA2:0000732 EHDAA:179 EMAPA:16098 EMAPA_RETIRED:16269 FMA:76622 TAO:0000113 VHOG:0000332 ZFA:0000113 cephalic mesenchyme uberon cranial mesenchyme desmocranium UBERON:0005253 head mesenchyme UBERON:0005253 Mesenchyme that is part of a developing trunk. EFO:0003485 EHDAA2:0002092 EHDAA:377 EMAPA:16177 TAO:0000081 VHOG:0000281 ZFA:0000081 uberon trunk and cervical mesenchyme UBERON:0005256 trunk mesenchyme UBERON:0005256 The posterior part of the developing vertebrate hindbrain or the corresponding part of the adult brain composed of the medulla oblongata and a portion of the fourth ventricle; as well as the glossopharyngeal nerve (CN IX), vagus nerve (CN X), accessory nerve (CN XI), hypoglossal nerve (CN XII), and a portion of the vestibulocochlear nerve (CN VIII).[BTO,WP]. The posterior of the two brain vesicles formed by specialization of the rhombencephalon in the developing embryo, it comprises the medulla oblongata. [TFD][VHOG] The early development of most vertebrate brains is similar (...). The zebrafish neural tube follows the same basic differentiation pattern as the mammalian neural tube (reference 1); The brain develops from three embryonic enlargements of the neural tube, which later differentiate into five regions. A forebrain differentiates into telencephalon and diencephalon. The midbrain, or mesencephalon, remains undivided. The hindbrain divides into the metencephalon and myelencephalon. Cavities within the brain enlarge to form a series of interconnected ventricles (reference 2).[well established][VHOG] the terms metencephalon and myelencephalon are only meaningful in mammals and birds - Neuroanatomy of the Zebrafish Brain. Note that its not clear if this refers to the developing medulla oblongata - MA (adult) has two distinct classes BTO:0000758 CALOHA:TS-0607 CALOHA:TS-2365 DHBA:10662 EHDAA2:0001207 EHDAA:5526 EMAPA:17082 HBA:9512 MA:0000205 VHOG:0000456 uberon myelencephalon (medulla oblongata) UBERON:0005290 myelencephalon UBERON:0005290 A portion of tissue that is part of an embryo. CALOHA:TS-2100 portion of embryonic tissue uberon developing tissue UBERON:0005291 embryonic tissue UBERON:0005291 An array of photoreceptors and any supporting cells found in an eye. FBbt:00004200 light-sensitive tissue uberon UBERON:0005388 photoreceptor array UBERON:0005388 A transparent structure that is part of a visual sense organ, the function of which is to direct or focus light onto a photoreceptor array. directing or focusing light onto light receptors lens uberon UBERON:0005389 transparent eye structure UBERON:0005389 The part of the digestive system that excludes the hepatobiliary system. the decision to split digestive and gastrointestinal in this way may be revisited. As it currently stands, this class more closely aligns what MA calls the alimentary system The system that includes the esophagus, stomach, small and large intestine, anus, liver, biliary tract, and pancreas[ncithesaurus:Gastrointestinal_System]. All metazoans (with degenerate exceptions) have some sort of digestive cavity with a means of entrance to and exit from it.[well established][VHOG] that many anatomy ontologies consider this synonymous with digestive system. here we follow MA in dividing digestive system into gastrointestinal and hepatobiliary. hepatobiliary includes the liver and biliary tract. species-specific AO classes are categorized according to whether liver is included. For example, XAO includes liver as part of XAO:0000125 alimentary system, so we assume this class is the more generic class. We have one entity that is part of both gastrointestinal and hepatobiliary systems: hepatopancreatic ampulla. BTO:0000058 CALOHA:TS-0407 EHDAA2:0000110 EHDAA:514 EMAPA:16246 EV:0100056 FMA:71132 GAID:294 MA:0000323 MESH:A03.492 UMLS:C0012240 VHOG:0000412 galen:GastrointestinalTract uberon GI tract alimentary system alimentary tract gastro-intestinal system gastrointestinal (GI) tract gastrointestinal system gastrointestinal tract UBERON:0005409 alimentary part of gastrointestinal system UBERON:0005409 AEO:0000125 CALOHA:TS-2122 EHDAA2:0003125 FBbt:00007006 FMA:292313 MIAA:0000019 uberon developing structure developmental structure developmental tissue UBERON:0005423 developing anatomical structure UBERON:0005423 Portion of tissue that is the inner layer of the optic cup and will become the neural retina. (...) an essentially similar sequence of events occurs during the embryonic development of the vertebrate eye. The eye initially develops as a single median evagination of the diencephalon that soon bifurcates to form the paired optic vesicles. As each optic vesicle grows towards the body surface, its proximal part narrows as the optic stalk, and its distal part invaginates to form a two-layered optic cup. (...) The outer layer of the optic cup becomes the pigment layer of the retina, whereas the inner layer differentiates into the photoreceptive cells and neuronal layers of the retina.[well established][VHOG] EHDAA2:0001304 EMAPA:16675 TAO:0001071 VHOG:0000490 ZFA:0001071 future neural retina future retinal neural layer inner layer optic cup optic cup inner layer presumptive retinas uberon future NR future neural epithelium future neural layer presumptive retina UBERON:0005425 presumptive neural retina UBERON:0005425 Portion of tissue that gives rise to the lens. A vesicle formed from the lens pit of the embryo, developing into the crystalline lens. [TFD][VHOG] (...) an essentially similar sequence of events occurs during the embryonic development of the vertebrate eye. The eye initially develops as a single median evagination of the diencephalon that soon bifurcates to form the paired optic vesicles. As each optic vesicle grows towards the body surface, its proximal part narrows as the optic stalk, and its distal part invaginates to form a two-layered optic cup. (...) The optic cup induces the overlying surface ectoderm first to thicken as a lens placode and then to invaginate and form a lens vesicle that differentiates into the lens.[well established][VHOG] the lens of zebrafish (and other teleosts) forms from delamination of cells from the lens placode; thus, there is no formation of a hollow lens vesicle, in contrast to the situation in mammals and birds (Glass and Dahm, 2004) [PMID:16496288] The lens of the zebrafish forms by delamination of lens placodal cells and not through invagination. This results in a solid spherical mass as opposed to a hollow lens vesicle. Detachment of the solid lens vesicle of zebrafish at 24b26 hpf is accomplished in part by apoptosis, similar to mammals EHDAA2:0000983 EHDAA:4737 EMAPA:17163 TAO:0002205 VHOG:0001163 ZFA:0001679 hollow lens vesicle solid lens vesicle uberon immature lens lens mass presumptive lens UBERON:0005426 lens vesicle UBERON:0005426 Portion of tissue that is part of the eye and gives rise to the mature, fully layered cornea. TAO:0002188 ZFA:0001688 uberon UBERON:0005427 corneal primordium UBERON:0005427 Multi-tissue structure that arises from the heart rudiment and will become the heart tube. EHDAA2:0001512 EHDAA:424 EHDAA:436 EMAPA:16208 EMAPA:16215 FMA:321916 TAO:0000149 ZFA:0000149 primitive heart tube early primitive heart tube uberon UBERON:0005498 primitive heart tube UBERON:0005498 Portion of tissue that gives rise to the immature gonad. Immature reproductive tissue that has not undergone final maturation into either testis or ovary.[TAO] this is a very broad grouping class EFO:0003651 EHDAA:5927 EMAPA:17204 RETIRED_EHDAA2:0002148 TAO:0001262 WBbt:0008366 ZFA:0001262 future gonad gonadal primordium primitive gonad undifferentiated gonad uberon immature gonad UBERON:0005564 gonad primordium UBERON:0005564 EMAPA:16844 MA:0001636 VHOG:0000215 extrahepatic part of the hepatic duct hepatic duct extrahepatic part uberon UBERON:0005604 extrahepatic part of hepatic duct UBERON:0005604 A mesoderm that has the potential to develop into a pronephros. Portion of tissue that consists of the mesenchymal precursor to the pronephric kidney and that begins to separate from the intermediate mesoderm at NF stage 21 and epithelializes by NF stage 30.[AAO] AAO:0011090 EFO:0003479 TAO:0000067 VHOG:0001239 XAO:0000264 ZFA:0000067 uberon pronephric anlage pronephric bulge pronephric mesenchyme pronephric primordium UBERON:0005721 the intermediate mesoderm of the chick embryo acquires its ability to form kidneys through its interactions with the paraxial mesoderm [ISBN:9780878932504 "Developmental Biology", http://www.ncbi.nlm.nih.gov/pubmed/10720431 "Signals from trunk paraxial mesoderm induce pronephros formation in chick intermediate mesoderm"]. These interactions induce the expression of TFs including Lim1, Pax2 and Pax6 that cause the intermediate mesoderm to form the kidney pronephric mesoderm UBERON:0005721 A limb/fin field that has_potential_to_developmentally_contribute_to a paired fin bud. fin field of lateral plate mesoderm uberon UBERON:0005731 fin field UBERON:0005731 A ring of cells capable of forming a limb or paired fin[Gilbert,modified]. we represent the field as being a part of the LPM (consistent with ZFA, Gilbert). As a consequence, the relationship between limb bud (with is ectoderm+mesenchyme) stands in a weaker has_developmental_contribution_from relation to the field - TODO implement this. limb/fin field of lateral plate mesoderm paired limb/fin field uberon UBERON:0005732 paired limb/fin field UBERON:0005732 A ring of cells capable of forming a limb. limb field of lateral plate mesoderm uberon UBERON:0005733 the central portion of the limb field gives rise to the limb proper. mesenchyme cells proliferate from from the somatic layer of limb field lateral plate mesoderm (limb skeletal precursors) and from the somites (limb muscle precursors) . these mesenchymal cells accumulate under the ectedermal tissue to make a limb bud. // The lateral plate mesoderm in the limb field is also special in that it will induce myoblasts to migrate out from the somites and enter the limb bud. No other region of the lateral plate mesoderm will do that (Hayashi and Ozawa 1995) limb field UBERON:0005733 The metanephros develops from the most caudal part of the nephrogenic cord that is itself derived from the intermediate plate mesoderm. caudal portion of nephrogenic cord caudal region of nephrogenic cord rear part of nephrogenic cord rear portion of nephrogenic cord uberon UBERON:0005753 caudal part of nephrogenic cord UBERON:0005753 The initial renal anlage that develops from the most rostral part of the nephrogenic cord is termed the pronephros. uberon UBERON:0005754 rostral part of nephrogenic cord UBERON:0005754 A acellular anatomical structure that is the bounding layer of a anatomical structure. FMA:63871 uberon UBERON:0005764 acellular membrane UBERON:0005764 An acellular membrane that is part of the epithelium, lies adjacent to the epithelial cells, and is the fusion of the the basal lamina and the reticular lamina. this class represents a continuous sheet of basement membrane which can underlie multiple epithelial cells over large regions. In contrast, the GO class 'basal membrane' represents a portion of substance on the scale of a single cell. AAO:0010596 FMA:63872 GAID:915 UMLS:C0004799 basement membrane of connective tissue membrana basalis uberon basement membrane UBERON:0005769 basement membrane of epithelium UBERON:0005769 Nephric tubules (nephrons) form embryonically along the nephric ridge. The ridge comprises three regions; anterior, middle and posterior. The functional kidney uses nephrons from only one or two regions of the ridge. A pronephric kidney uses only the nephrons from the anterior region of the ridge. A mesonephric kidney uses only the middle region, a metanephric kidney uses only the posterior region and an opisthonephric kidney uses the middle and posterior regions. TODO - check ridge vs cord vs nephrogenic cord vs blastema EHDAA2:0001242 EHDAA:1015 EMAPA:16368 VHOG:0001240 uberon nephric cord UBERON:0005792 nephric ridge UBERON:0005792 FMA:72173 fetal uterus uberon UBERON:0005795 embryonic uterus UBERON:0005795 In the circulatory system of animals, a portal venous system occurs when a capillary bed drains into another capillary bed through veins, without first going through the heart. Both capillary beds and the blood vessels that connect them are considered part of the portal venous system. They are relatively uncommon as the majority of capillary beds drain into veins which then drain into the heart, not into another capillary bed. Portal venous systems are considered venous because the blood vessels that join the two capillary beds are either veins or venules. Examples of such systems include the hepatic portal system and the hypophyseal portal system. Unqualified, 'portal venous system' often refers to the hepatic portal system. For this reason, 'portal vein' most commonly refers to the hepatic portal vein[WP]. FMA:45628 MESH:D011168 UMLS:C0226727 portal venous system uberon UBERON:0005806 portal system UBERON:0005806 A delimited region of dense mesenchyme within looser mesenchyme. AEO:0000148 EHDAA2_RETIRED:0003148 EHDAA:8979 mesenchyme condensation uberon UBERON:0005856 developing mesenchymal condensation UBERON:0005856 Cell condensation that is an aggregation of mesenchymal cells that are committed to differentiate into chondroblasts and chondrocytes. isa cell condensation in VSAO; has_part chondroblast in AEO AEO:0000147 EHDAA2_RETIRED:0003147 EMAPA:32731 VSAO:0000092 XAO:0004022 cartilage condensation cartilagenous condensation chondrogenic condensation uberon UBERON:0005863 cartilaginous condensation UBERON:0005863 A delimited region of dense mesenchyme within looser mesenchyme whose cells are committed to become chondroblasts. A closely packed aggregation of mesenchymal cells just prior to their differentiation into embryonic cartilage. AEO:0000150 EHDAA2:0003150 EMAPA:32736 pre-chondrogenic condensation precartilage condensation precartilagenous condensation prechondrogenic condensation uberon UBERON:0005866 pre-cartilage condensation UBERON:0005866 A subdivision of the autopod that corresponds to one or more bones arranged in series branching from the main limb axis. uberon digit or predigit limb outgrowth UBERON:0005881 encompasses digits and prepollex. requires review autopodial extension UBERON:0005881 Organ with organ cavity, which has as parts a serous membrane and a serous cavity . Examples: pleural sac, pericardial sac, tendon sheath, bursa.[FMA] EMAPA:16060 FMA:9689 MA:0000005 uberon UBERON:0005906 See notes for serous membrane serous sac UBERON:0005906 Epithelium that derives from the endoderm. Examples: urothelium, transitional epithelium of ureter, epithelium of prostatic gland.[FMA] FMA:69065 endoderm-derived epithelium endoepithelium uberon UBERON:0005911 endo-epithelium UBERON:0005911 Subdivision of skeleton which consists of cranial skeleton, set of all vertebrae, set of all ribs and sternum[FMA, modified]. Skeletal subdivision of the central body axis including the cranium, vertebrae, notochord, ribs, and sternum.[VSAO] AAO:0000963 EMAPA:17214 EMAPA:18043 MA:0000308 UMLS:C0222645 VSAO:0000056 XAO:0004011 uberon skeleton axiale UBERON:0005944 axial skeleton plus cranial skeleton http://purl.obolibrary.org/obo/uberon/docs/The-axial-skeleton UBERON:0005944 Anatomical structure embedded in or located in the integument that is part of the integumental system. Examples: hair, follicles, skin glands, claws, nails, feathers. add subclasses based on resolution of CARO tracker item. Also check: adnexal gland. Note that MP implicitly includes hypodermis. the tissue or structures associated with or embedded in the skin such as hair and hair follicles, sweat glands, sebaceous glands and claws or nails[MP:0010678] body hair or bristle uberon adnexae cutis skin adnexa skin adnexal structure skin appendage UBERON:0006003 integumentary adnexa UBERON:0006003 the posterior section of the developing metencephalon recognized transiently within the vertebrate embryo; the rhombic lip extends posteriorly from the roof of the fourth ventricle to dorsal neuroepithelial cell and can be divided into eight structural units based on rhombomeres 1-8 (r1-r8), recognized at early stages of hindbrain development; producing granule cells and five brainstem nuclei, the rhombic lip plays an important role in developing a complex cerebellar neural system The interface between the dorsal neuroepithelium and the roofplate of the fourth ventricle. The source of a number of migratory neuron populations of the hindbrain.[TAO] UBERON:0013163 DHBA:10664 EHDAA2:0000231 EMAPA:17074 TAO:0001440 XAO:0004135 ZFA:0001440 uberon cerebellar anlage cerebellar primordium cerebellum primordium dorsal part of alar plate of metencephalon future cerebellum presumptive cerebellum rostral rhombic lip UBERON:0006215 rhombic lip UBERON:0006215 The membrane that covers the embryonic cloaca, formed by the union of proctodeal (anal pit) ectoderm and cloacal endoderm, with no intervening mesoderm; the urorectal septum joins the cloacal membrane and divides it into an anal membrane and a urogenital membrane; the point where the urorectal septum intersects the cloacal membrane is the future site of the perineal body; proliferation of mesoderm and ectoderm around the cloacal membrane produces primordial tissues of the external genitalia in both sexes: the genital tubercle, genital folds, and genital swellings. A membrane that separates the proctodeum and the hindgut in the early embryo. [Evolution, Fourth_Edition_(2006)_McGraw-Hill, Function, Vertebrates:_Comparative_Anatomy, p.497, see_Kardong_KV][VHOG] In mammals, the cloaca exists as an embryonic structure that undergoes septation to become distinct urethral, anal, and genital orifices.[well established][VHOG] EHDAA2:0000257 EHDAA:214 EHDAA:2933 EMAPA:16832 FMA:295525 UMLS:C0231056 VHOG:0001198 embryonic cloacal membrane uberon membrana cloacalis UBERON:0006217 cloacal membrane UBERON:0006217 An anatomical junctions that overlaps the foregut and midgut. Although all vertebrates have a digestive tract and accessory glands, various parts of this system are not necessarily homologous, analogous, or even present in all species. Therefore, broad comparisons can be best made under the listings of headgut, foregut, midgut, pancreas and biliary system, hindgut.[well established][VHOG] EHDAA2:0000569 EHDAA:526 EMAPA:16363 VHOG:0000291 uberon UBERON:0006235 foregut-midgut junction UBERON:0006235 The embryonic precursor of the brain. The embryonic precursor of the brain and the set of mature brain structures that derive from it (CUMBO) BAMS:Enc BTO:0004726 EFO:0003431 EHDAA:300 EHDAA:830 EMAPA:16089 EMAPA:16471 FMA:312967 RETIRED_EHDAA2:0000591 TAO:0000146 ZFA:0000146 brain rudiment presumptive brain encephalon uberon embryonic brain UBERON:0006238 future brain UBERON:0006238 A presumptive structure that has the potential to develop into a forebrain. TODO. Add relationships to neural plate (both ZFA and EMAPA time this with the neural plate) BAMS:Pros EFO:0003423 EHDAA2:0000661 EHDAA:2643 EMAPA:16640 TAO:0000062 ZFA:0000062 future prosencephalon presumptive forebrain presumptive prosencephalon uberon prosencephalon UBERON:0006240 future forebrain UBERON:0006240 EFO:0003438 EHDAA2:0000674 EHDAA:898 EMAPA:16092 EMAPA:16525 EMAPA:16755 TAO:0000417 ZFA:0000417 presumptive spinal cord presumptive spinal cord neural keel presumptive spinal cord neural plate presumptive spinal cord neural rod uberon UBERON:0006241 future spinal cord UBERON:0006241 A sac-like cavity ventral to the liver, lying in the sub-mesodermal space and closed by a thin sheet of ectodermal cells, from which the future gall bladder develops. EHDAA2:0000700 EHDAA:3047 EMAPA:16713 XAO:0004205 uberon UBERON:0006242 gall bladder primordium UBERON:0006242 The notochordal plate is the dorsal part of the notochordal process when the ventral portion breaks down. It is continuous laterally with the endoderm that composes the roof of the primitive foregut and is in contact dorsally with the neural tube. The folding off of the notochordal plate gives rise to the notochord. TODO - check ordering; awaiting confirmation from JB The notochordal plate is the dorsal part of the notochordal process when the ventral portion breaks down. It is continuous laterally with the endoderm that composes the roof of the primitive foregut and is in contact dorsally with the neural tube. The folding off of the notochordal plate gives rise to the notochord. [Carson_JL, Dehart_DB, Developmental_Dynamics_(1994)_201:_260-278, Gesteland_K_and_Schoenwolf_GC, Inagaki_T, Morphogenesis_of_the_murine_node_and_notochordal_plate, The_prechordal_plate, Vrablic_T, see_Mueller_F_and_O'Rahilly_R, the_rostral_end_of_the_notochord_and_nearby_median_features_in_staged_human_embryos._Cells_Tissues_Organs_(2003)_173:_1-20_and_Sulik_K][VHOG] EHDAA2:0001278 EHDAA:264 EMAPA:16101 UMLS:C1518429 VHOG:0001212 uberon UBERON:0006267 notochordal plate UBERON:0006267 A midline cellular cord formed from the migration of mesenchymal cells from the primitive knot EHDAA2:0001279 EHDAA:224 EMAPA:16102 FMA:293135 UMLS:C1518430 VHOG:0001213 uberon chordamesoderm presumptive notochord UBERON:0006268 The notochordal process grows cranially until it reaches the prechordal plate, the future site of the mouth. In this area the ectoderm is attached directly to the endoderm without intervening mesoderm. This area is known as the oropharyngeal membrane, and it will break down to become the mouth. At the other end of the primitive streak the ectoderm is also fused directly to the endoderm; this is known as the cloacal membrane (proctodeum), or primordial anus. notochordal process UBERON:0006268 Liquid components of living organisms. includes fluids that are excreted or secreted from the body as well as body water that normally is not. fluid FMA:280556 GAID:266 MESH:D001826 galen:BodyFluid body fluid uberon UBERON:0006314 bodily fluid UBERON:0006314 A tube in the kidney that collect and transport urine. in ZFA this is defined as part of mesonephros TAO:0005289 ZFA:0005289 uberon UBERON:0006553 renal duct UBERON:0006553 A tube that is part of a excretory system. uberon UBERON:0006555 excretory tube UBERON:0006555 The pharynx is the part of the digestive system immediately posterior to the mouth[GO]. currently this is an extremely generic class, encompassing both protostomes and deuterostomes. branchial pharyngeal FBbt:00005380 MAT:0000049 MIAA:0000049 uberon anterior part of foregut pharyngeal tube UBERON:0006562 pharynx UBERON:0006562 Presumptive structure of the blastula that will develop into endoderm. AAO:0000471 EFO:0003437 TAO:0000416 ZFA:0000416 uberon UBERON:0006595 presumptive endoderm UBERON:0006595 AAO:0000468 EFO:0003439 TAO:0000568 ZFA:0000568 future blood uberon UBERON:0006596 presumptive blood UBERON:0006596 Portion of embryonic tissue determined by fate mapping to become a structure. Consider merging with anlage AAO:0000479 TAO:0001116 ZFA:0001116 future structure presumptive structures uberon UBERON:0006598 presumptive structure UBERON:0006598 Presumptive structure of the blastula that will develop into ectoderm. AAO:0000470 EFO:0003466 TAO:0001376 XAO:0004132 ZFA:0001376 uberon presumptive epidermis UBERON:0006601 presumptive ectoderm UBERON:0006601 Presumptive structure of the blastula that will develop into mesoderm. AAO:0000476 EFO:0003467 TAO:0001377 ZFA:0001377 uberon UBERON:0006603 presumptive mesoderm UBERON:0006603 2 2 A joint that connects one phalanx to another along a proximodistal axis. Hinge joints between the phalanges of the hand or foot[ncithesaurus:Interphalangeal_Joint]. FMA:42765 galen:InterphalangealJoint inter-phalangeal joint inter-phalanx joint uberon UBERON:0006658 interphalangeal joint UBERON:0006658 The third segment of the limb, including either the wrist segment (carpus) or the ankle segment (tarsus) Naming conventions for pod terms under discussion within phenoscape group carpus/tarsus mesopodial limb segment mesopodial segment uberon mesopod UBERON:0006716 mesopodium region UBERON:0006716 The collection of all skeletal elements in an autopodium region. Distal section of the limb skeleton, consisting of the anterior autopodium or posterior autopodium.[VSAO] Naming conventions for pod terms under discussion within phenoscape group VSAO:0005019 autopod skeleton autopodial skeleton skeletal parts of autopod skeleton of autopod uberon autopodium UBERON:0006717 autopodial skeleton UBERON:0006717 An epithelium that is composed primarily of secretory cells. consider splitting epithelium from epithelial tissue BTO:0002991 UMLS:C0682578 UMLS:C1708242 uberon UBERON:0006799 glandular epithelium UBERON:0006799 The distalmost portion of the digestive tract, derived from the hindgut, and terminating with the anus. this class is the superclass of 'rectum', which is currently reserved for the vertebrate structure. May be merged in future. FBbt:00005756 WBbt:0005773 rectum uberon rectal part of digestive tract terminal section of digestive tract UBERON:0006866 terminal part of digestive tract UBERON:0006866 A vasculature that is part of a organ. FMA:74612 organ vasculature set of blood vessels of organ uberon UBERON:0006876 vasculature of organ UBERON:0006876 An anatomical space that surrounded_by a digestive tract. BTO:0000349 EMAPA:32908 FMA:45677 digestive tract lumen gut cavity gut lumen lumen of alimentary tract lumen of digestive tract lumen of gut uberon UBERON:0006909 lumen of digestive tract UBERON:0006909 An epithelium characterised by its most superficial layer consisting of squamous epithelial cells. FBbt:00007028 (squamous epithelium) A type of epithelium that is made up of flattened cells which are arranged with their long axes in the plane of the epithelium BTO:0002072 UMLS:C0221909 uberon UBERON:0006914 squamous epithelium UBERON:0006914 A glandular epithelium that lines the stomach. The stomach's glandular epithelium is characterized by the presence of gastric glands. we follow Kardong in treating the glandular epithelium as a distinct entity, and thus as an epithelium which has glands; FMA has 'epithelium of gastric gland', which is part of the gastric gland. EMAPA:17623 EMAPA:35814 FMA:63458 MA:0002784 epithelium of gastric gland uberon gastric gland epithelium UBERON:0006924 stomach glandular epithelium UBERON:0006924 A gland, such as the liver or pancreas, that secretes into the alimentary canal substances necessary for digestion. AAO:0000130 BTO:0000345 digestive system gland uberon UBERON:0006925 digestive gland UBERON:0006925 Simple columnar epithelium that constitutes the secretory part of a gland. Examples: epithelium of stomach, luminal epithelium of lactiferous duct.[FMA] FMA:64800 UMLS:C0225337 uberon UBERON:0006929 glandular columnar epithelium UBERON:0006929 stomach mucosa that is lined with glandular epithelium and part of a stomach glandular region. EMAPA:27167 MA:0001614 stomach glandular region glandular mucous membrane uberon UBERON:0006931 stomach glandular region mucosa UBERON:0006931 The vascular cord is the primordial vasculature that will develop into blood vessels by the process of tubulogenesis[GO]. The vascular cord is composed of angioblast or vascular endothelial cells in a solid linear mass called a cord. The cord then undergoes tubulogenesis to form the lumen of the vessels[ZFA]. EFO:0003709 TAO:0005077 ZFA:0005077 uberon UBERON:0006965 vascular cord UBERON:0006965 A two dimensional anatomical structure that is the boundary between an anatomical structure and an anatomical substance, an anatomical space or the organism's environment. Examples include the surface of your skin, the surface of the lining of your gut; the surface of the endothelium of you aorta that is in contact with blood.n AAO:0010270 BILA:0000010 CARO:0001002 EHDAA2:0003192 FMA:24137 ID:0000000 UMLS:C1515977 ZFA:0005594 uberon UBERON:0006984 Old definition: 'Non-material anatomical entity of two dimensions, that is demarcated by anatomical lines or points on the external or internal surfaces of anatomical structures.' Note, in the new definition, the space referred to is not necessarily an anatomical space. It may be the outside of an organism. anatomical surface UBERON:0006984 The splanchnic mesoderm in the cardiogenic region where the heart develops; it gives rise to endocardial heart tubes that fuse to form the primordial cardiac tube, the heart primordium[web]. Two migratory heart primordia that move ventrally during the course of neurulation, and then fuse[XAO]. consider FBbt:00005541 ! cardiogenic mesoderm review EHDAA2 placement AAO:0011021 BILA:0000051 EFO:0000315 EHDAA2:0000214 EHDAA:385 FMA:293143 VHOG:0001641 XAO:0000235 uberon cardiogenic mesoderm cardiogenic region heart primordia UBERON:0007005 cardiac mesoderm UBERON:0007005 Organism at the cleavage stage. BILA:0000058 uberon UBERON:0007010 cleaving embryo UBERON:0007010 The endodermal cells generate only the lining of the digestive tube and its glands; mesodermal mesenchyme cells will surround this tube to provide the muscles for peristalsis BILA:0000084 UMLS:C1514442 future digestive tract future digestive tube future gut primitive gut uberon embryonic digestive tube primordial digestive tube primordial gut UBERON:0007026 presumptive gut UBERON:0007026 A hollow, muscular organ, which, by contracting rhythmically, keeps up the circulation of the blood or analogs[GO,modified]. note we reserve the subclass 'heart' from the vertebrate multi-chambered heart. 'The first heart-like organ is believed to have appeared 500my ago in an ancestral bilaterian'. Amniotes: four-chambered heart. Amphibians: two atria, one ventricle, pulmonary; fish: single atrium and ventricle; amphioxus: tubular, non-striated, closed, unidirectional; ascidians: tubular, striated, open, bidirectional; arthropods: tubular, open; C elegans: contractile pharynx; Cnideria: striated muscle cells associated with gastrodermis FBbt:00003154 SPD:0000130 TADS:0000147 dorsal tube heart uberon adult heart UBERON:0007100 Gene notes: Bmp, Nkx, Gata primary circulatory organ UBERON:0007100 An intermediate stage (between the neural plate and neural rod) during the early segmentation period in the morphogenesis of the central nervous system primordium; the keel is roughly triangular shaped in cross section. An intermediate stage (between the neural plate and neural rod) during the early segmentation period in the morphogenesis of the central nervous system primordium; the keel is roughly triangular shaped in cross section. Kimmel et al, 1995.[TAO] EFO:0003497 TAO:0000131 ZFA:0000131 uberon presumptive central nervous system UBERON:0007135 neural keel UBERON:0007135 Mesenchyme that develops_from a cranial neural crest. EFO:0003572 EHDAA2:0000735 EMAPA:16169 EMAPA:16271 EMAPA_RETIRED:16271 TAO:0000787 ZFA:0000787 head mesenchyme from cranial neural crest head mesenchyme from neural crest head neural crest derived mesenchyme uberon UBERON:0007213 mesenchyme derived from head neural crest UBERON:0007213 The rhombencephalon (or hindbrain) is a developmental categorization of portions of the central nervous system in vertebrates. The rhombencephalon can be subdivided in a variable number of transversal swellings called rhombomeres. In the human embryo eight rhombomeres can be distinguished, from caudal to rostral: Rh7-Rh1 and the isthmus (the most rostral rhombomere). A rare disease of the rhombencephalon, 'rhombencephalosynapsis' is characterized by a missing vermis resulting in a fused cerebellum. Patients generally present with cerebellar ataxia. The caudal rhombencephalon has been generally considered as the initiation site for neural tube closure. TODO - unify naming conventions The embryonic rhombencephalon can be subdivided in a variable number of transversal swellings called rhombomeres. Rhombomeres Rh7-Rh4 form the myelencephalon that will give the medulla oblongata. Rhombomeres Rh3-Rh1 form the metencephalon that will form the pons and the cerebellum[NPX:PDR]. BAMS:HB CALOHA:TS-2118 EFO:0003440 EHDAA2:0001630 FMA:295640 TAO:0000569 ZFA:0000569 presumptive rhombencephalon uberon embryonic rhombencephalon future hindbrain rhombencephalon UBERON:0007277 presumptive hindbrain UBERON:0007277 Embryonic structure that gives rise to the midbrain hindbrain boundary. EFO:0003446 TAO:0001187 XAO:0004086 ZFA:0001187 presumptive MHB presumptive midbrain-hindbrain boundary uberon UBERON:0007281 presumptive midbrain hindbrain boundary UBERON:0007281 A presumptive structure that has the potential to develop into a presomitic mesoderm. EFO:0003421 TAO:0000053 ZFA:0000053 uberon presumptive segmental plates UBERON:0007282 presumptive segmental plate UBERON:0007282 A presumptive structure that has the potential to develop into a neural plate. consider merging Region of the gastrula which gives rise to the neural plate.[TAO] EFO:0003424 TAO:0000063 ZFA:0000063 prospective neuroectoderm prospective vegetal ectoderm uberon UBERON:0007284 presumptive neural plate UBERON:0007284 A presumptive structure that has the potential to develop into a paraxial mesoderm. EFO:0003443 TAO:0000591 XAO:0004134 ZFA:0000591 future paraxial mesoderm uberon UBERON:0007285 presumptive paraxial mesoderm UBERON:0007285 A presumptive structure that has the potential to develop into a pronephric mesoderm. EFO:0003619 TAO:0001070 ZFA:0001070 nephron primordium uberon UBERON:0007297 presumptive pronephric mesoderm UBERON:0007297 A dense accumulation of exocrine glands in the pancreas often surrounding islets of Langerhans. TODO - check In mice many lobules lack islets, in contrast to other mammals including humans FMA:16012 MA:0000721 lobulus pancreaticus pancreas lobe pancreatic lobule uberon UBERON:0007324 pancreatic lobule UBERON:0007324 A duct that is part of the pancreas and connected to the duodenum. this class groups together accessory (dorsal) and main (ventral) pancreatic ducts Duct connecting the pancreas with the intestine. [Dorian_AF, Elsevier's_encyclopaedic_dictionary_of_medicine, Part_B:_Anatomy_(1988)_Amsterdam_etc.:_Elsevier][VHOG] These data show that ducts within the zebrafish pancreas originally arise in situ from isolated progenitor cells rather than arising from reiterative branching of the pancreatic epithelium. This process of pancreatic duct formation in zebrafish may be analogous to the mechanism of duct formation in the mammalian mammary and salivary glands. (...) A related mechanism of duct formation has also been proposed to occur within the mammalian pancreatic epithelium.[uncertain][VHOG] in EHDAA2, the dorsal and ventral ducts are classified as epithelial sacs - review after overhaul of duct/epithelia terms EHDAA:9194 EMAPA:32952 FMA:10419 MA:0000124 TAO:0001372 VHOG:0000254 ZFA:0001372 duct of pancreas pancreas duct uberon ductus pancreaticus UBERON:0007329 pancreatic duct UBERON:0007329 The epidermis is the entire outer epithelial layer of an animal, it may be a single layer that produces an extracellular material (e.g. the cuticle of arthropods) or a complex stratified squamous epithelium, as in the case of many vertebrate species[GO]. this grouping class exists primarily to align with GO - see GO:0008544. BSA:0000073 BTO:0000313 FBbt:00004993 HAO:0000298 TADS:0000109 WBbt:0005733 epidermis epidermis (sensu Metazoa) outer epidermal layer outer epithelial layer uberon hypoderm hypodermis UBERON:0007376 outer epithelium UBERON:0007376 Portion of the dermis characterized by a well-arranged, plywood-like, collagenous network. Portion of the dermis characterized by a well-arranged, plywood-like, collagenous network. Le Guellec et al, 2004.[TAO] relationship loss: develops_from collagenous dermal stroma (TAO:0001186)[TAO] connective tissue in the skin is usually diffuse and irregular, although in some species collagen bundles are arranged in a distinct ordered layer in the dermis AAO:0010600 TAO:0001182 ZFA:0001182 dermal deep region uberon UBERON:0007377 stratum compactum UBERON:0007377 Outermost layer of cells surrounding the embryo. Outermost monolayer of cells surrounding the embryo that become very flattened in the blastula and give rise to the periderm. Sometimes used synonymously with periderm. Kimmel et al, 1995.[TAO] relationship loss: develops_from superficial blastomere (TAO:0001484)[TAO] Originally this tissue is one cell layer thick but in most vertebrates it soon becomes a two layered structure. The outer layer gives rise to the periderm. EFO:0003425 TAO:0000086 ZFA:0000086 EVL enveloping layer uberon UBERON:0007383 enveloping layer of ectoderm UBERON:0007383 An epithelial tube that is open at one end only. AEO:0000115 EHDAA2:0003115 uberon UBERON:0007499 epithelial sac UBERON:0007499 An epithelial tube open at both ends that allows fluid flow. AEO_RETIRED:0000116 RETIRED_EHDAA2:0003116 uberon UBERON:0007500 epithelial tube open at both ends UBERON:0007500 A closed epithelium with a lumen. EHDAA2:0003119 AEO:0000119 EHDAA2:0003119 uberon UBERON:0007503 epithelial vesicle UBERON:0007503 Mesenchyme with little extracellular matrix. EHDAA2:0003146 AEO:0000146 EHDAA2:0003146 uberon UBERON:0007524 dense mesenchyme tissue UBERON:0007524 Mesenchymal cells that are migrating. this class will be an important part of the NC reorganization EHDAA2:0003152 AEO:0000152 EHDAA2:0003152 uberon UBERON:0007530 migrating mesenchyme population UBERON:0007530 A thin, loose vascular connective tissue that makes up the membranes surrounding joints and the sheaths protecting tendons (particularly flexor tendons in the hands and feet) where they pass over bony prominences. Synovial tissue contains synovial cells, which secrete a viscous liquid called synovial fluid; this liquid contains protein and hyaluronic acid and serves as a lubricant and nutrient for the joint cartilage surfaces[BTO]. Synovial tissue can be found in tendons (tissues that connect muscle to bone), bursae (fluid-filled, cushioning sacs found in spaces between tendons, ligaments, and bones), and the cavity (hollow enclosed area) that separates the bones of a freely movable joint, such as the knee or elbow[BTO]. BTO:0001338 CALOHA:TS-0998 FMA:66762 synovium stratum synoviale synovial layer synovial membrane uberon synovial tissue UBERON:0007616 layer of synovial tissue UBERON:0007616 An anatomical cavity that surrounded_by a synovial joint. FMA:11356 articular cavity (synovial joint) cavitas articularis (junctura synovialis) cavity of synovial joint uberon joint cavity synovial cavity UBERON:0007617 synovial cavity of joint UBERON:0007617 epithelial layer of the retina, ciliary body, or iris composed of cells containing pigment granules. GAID:907 MESH:D010857 uberon eye pigment epithelium UBERON:0007625 pigment epithelium of eye UBERON:0007625 2 An anatomical structure that connects two structures junction FMA:5898 anatomical junction uberon UBERON:0007651 anatomical junction UBERON:0007651 region of the embryo into the area in which the kidney rudiment will develop. uberon kidney anlage UBERON:0007687 kidney field UBERON:0007687 Anlagen are populations of contiguous cells, typically arranged in one plane, that are morphologically indistinct, but that already correspond in extent to a later organ/tissue. field AEO:0000170 EFO:0001649 EHDAA2:0003170 FBbt:00005426 developmental field uberon future organ organ field UBERON:0007688 anlage UBERON:0007688 Any fluid produced by a serous gland. the FMA def is Transudate contained in a serous sac FMA:20932 serous gland fluid uberon UBERON:0007794 serous fluid UBERON:0007794 Anatomical system that consists of all blood and lymph vessels. consider merging with vasculature The cardiovascular and lymphatic systems, collectively[ncithesaurus:Vascular_System]. in both MA and BTO, the arterial system and venous sytem are subtypes of the vascular system BTO:0001085 CALOHA:TS-2053 EHDAA2:0004520 EMAPA:35905 MA:0002718 UMLS:C0489903 uberon Gefaesssystem@ge UBERON:0007798 vascular system UBERON:0007798 The anteriormost subdivision of the body that includes the head, jaws, pharyngeal region and the neck (if present). In vertebrates this is the subdivision that includes the cervical vertebrae. CALOHA:TS-2356 EV:0100009 FMA:280881 MA:0000006 UMLS:C0460004 WikipediaCategory:Head_and_neck galen:HeadAndNeck uberon cephalic area cephalic part of animal cephalic region head and neck head or neck UBERON:0007811 craniocervical region UBERON:0007811 An organism subdivision that encompasses the region containing the pectoral or pelvic girdle. Note that this includes both the skeletal elements and associated tissues (integument, muscle, etc). this encompasses non-skeletal tissue An organism subdivision that encompasses the region containing the pectoral or pelvic girdle. Note that this includes both the skeletal elements and associated tissues (integument, muscle, etc). There are only two instances of appendage girdle regions per organism.[VSAO] UBERON:0007824 girdle girdle region FMA:24874 VSAO:0000303 uberon fin girdle fin girdle region limb girdle limb girdle region UBERON:0007823 appendage girdle region UBERON:0007823 Skeletal subdivision consisting of a set of bones linking the axial series to the hindlimb zeugopodium and offering anchoring areas for hindlimb and caudal musculature. need to resolve whether this is a paired structure or a single belt (Paired in FMA - implicitly paired in VSAO) Anatomical cluster by which the hind limbs are supported and attached to the vertebral column.[AAO] Anatomical cluster that consists of the paired basipterygia which support the pelvic fin.[TAO] Girdle skeleton consisting of a set of bones linking the axial series to the hindlimb/fin skeleton and offering anchoring areas for hindlimb/fin and caudal musculature.[VSAO] The pelvic girdle is never joined by contributions of dermal bone. From its first appearance in placoderms, the pelvic girdle is exclusively endoskeletal. It arose from pterygiophores, perhaps several times, in support of the fin.[well established][VHOG] Note that the VSAO and many ontologies use the label 'pelvic girdle' to denote the skeletal region specifically. We place the EHDAA2 class here, note that this includes the pre-cartilage condensation as parts AAO:0000426 AAO:0000768 EFO:0000947 EHDAA2:0001426 EHDAA:7149 EHDAA:8324 EMAPA:18028 FMA:87592 MAT:0000182 MIAA:0000182 TAO:0000565 VHOG:0000305 VSAO:0000155 XAO:0003064 ZFA:0000565 galen:PelvicGirdle pelvic girdle skeleton skeletal parts of pelvic girdle skeleton of pelvic girdle uberon pelvic girdle UBERON:0007832 pelvic girdle skeleton UBERON:0007832 Skeletal element that is composed of cartilage tissue and may be permanent or transient. TAO still mixes tissue and element AAO:0011130 CALOHA:TS-0118 EMAPA:32730 FMA:55107 VSAO:0000000 XAO:0004013 ZFA:0001501 cartilage organ cartilaginous element chondrogenic element uberon cartilage UBERON:0007844 cartilage element UBERON:0007844 Connective tissue, which consists of fibroblasts, the intercellular matrix of which contains a regular network of collagen and elastic fiber bundles. Examples: bone (tissue), cartilage (tissue), dense regular connective tissue. the connective tissue hierarchy largely follows FMA with definitions from VSAO. Note that in FMA, loose-CT is irregular-CT. This means regular-CT is necessarily equivalent to dense-regular-CT (assuming a JEPD classification). FMA:20103 uberon UBERON:0007845 regular connective tissue UBERON:0007845 Connective tissue that is dominated by collagen fibres organized into a definitive pattern (e.g., parallel to one another), with comparatively fewer cells (mostly fibroblasts). Connective tissue that is dominated by collagen fibres organized into a definitive pattern (e.g., parallel to one another), with comparatively fewer cells (mostly fibroblasts).[VSAO] Regular connective tissue, the intercellular matrix of which consists predominantly of collagen fiber bundles arranged in parallel arrays.[FMA] FMA:64781 UMLS:C0225333 VSAO:0000050 XAO:0004030 dense fibrous connective tissue dense regular collagenous connective tissue dense regular collagenous tissue regular dense connective tissue typus regularis (textus connectivus collagenosus compactus) uberon UBERON:0007846 dense regular connective tissue UBERON:0007846 An out-pocket of thickened ventral foregut epithelium adjacent to the developing heart. Constitutes the first morphological sign of the embryonic liver. The anterior portion of the hepatic diverticulum gives rise to the liver and intrahepatic biliary tree, while the posterior portion forms the gall bladder and extrahepatic bile ducts. in mice, the hepatic diverticulum forms by E9 and expands into an obvious liver bud by E10 The caudal part of the septum transversum is invaded by the hepatic diverticulum which divides within it to form the liver and thus gives rise to the ventral mesentery of the foregut. AAO:0011057 EHDAA2:0000740 EHDAA:1530 UMLS:C1512407 XAO:0000101 liver diverticulum uberon diverticulum hepaticum UBERON:0008835 hepatic diverticulum UBERON:0008835 BTO:0001642 uberon UBERON:0008836 liver bud UBERON:0008836 The short narrow part of the stomach extending from the pyloric antrum to the pyloric sphincter FMA:14580 canalis pyloricus uberon canalis pyloricus UBERON:0008858 pyloric canal UBERON:0008858 The gastric glands in the pyloric region of the stomach; the pyloric glands secrete mucin, which coats the stomach and protects it, and hormones such as gastrin and enkephalin[MP]. check relationship to pylorus vs antrum EMAPA:27211 FMA:14922 UMLS:C0227239 glandula pylorica pyloric antrum gland pyloric gland pyloric mucuous gland uberon UBERON:0008861 pyloric gastric gland UBERON:0008861 An external projection of an aquatic animal as a fish used in propelling or guiding the body[BTO]. Surface structure involved in locomotion.[TAO] Surface structure involved in locomotion.[VSAO] This class groups together various structures that may have arisen through convergent evolution, including, for example, the dorsal fin of a cetacean AAO:0010374 AEO:0001004 BTO:0004649 EFO:0000875 MAT:0000087 MESH:D058500 MIAA:0000087 OpenCyc:Mx4rvVjcBZwpEbGdrcN5Y29ycA TAO:0000108 VSAO:0000099 XAO:0000002 ZFA:0000108 uberon fins UBERON:0008897 fin UBERON:0008897 An organ part that is part of a stomach. EMAPA:35821 MA:0002561 uberon UBERON:0009034 stomach region UBERON:0009034 A gonad prior to differentiating into a definitive testis or ovary. EHDAA2:0000716 UMLS:C1512703 uberon gonad rudiment UBERON:0009117 typically part of the embryo - however, in male tammar wallabies the gonads are indifferent at the neonatal stage[8827321] indifferent gonad UBERON:0009117 Sum total of mesenchyme in the embryo. consider adding new class (EMAPA:16097) for mesenchyme of embryo (some mesenchyme is extraembryonic - e.g. amnion mesoderm) UBERON:0003313 EHDAA2:0001113 EHDAA:177 EMAPA:16097 uberon UBERON:0009142 entire embryonic mesenchyme UBERON:0009142 EHDAA2:0004021 uberon UBERON:0009196 indifferent external genitalia UBERON:0009196 A nephric duct is a tube that drains a primitive kidney[GO]. EMAPA:28425 EMAPA:28429 uberon UBERON:0009201 pronephric duct or mesonephric duct nephric duct UBERON:0009201 An epithelium that is part of a foregut-midgut junction. EHDAA2:0000573 EMAPA:16564 uberon UBERON:0009497 epithelium of foregut-midgut junction UBERON:0009497 An endoderm that is part of a foregut-midgut junction. EHDAA2:0000572 EMAPA:18403 uberon UBERON:0009550 endoderm of foregut-midgut junction UBERON:0009550 A segment of a digit containing the distal phalanx, and overlapping the distal interphalangeal joint[CJM]. The digit tip is derived from multiple and distinct embryonic origins, and includes the distal bone with associated marrow cavity and haematopoietic cells, ventral (flexor) and dorsal (extensor) tendons, sweat glands with myoepithelial and luminal secreting cells and associated neurons for innervation, dermis with resident melanocytes and dendritic cells, mesenchyme with resident fibroblasts, skin epidermis with hair follicles, a nail organ composed of six specific parts (the root, nail bed, nail plate, eponychium (cuticle), perionychium and hyponychium). Newborn and adult mice are able to regrow forelimb (finger) and hindlimb (toe) digit tips after their amputation through the distal interphalangeal joint. Regeneration of the digit tip involves the integrated regrowth of multiple tissues within 2-3 months, reaching an external morphology that is cosmetically and functionally similar to normal digits. Most importantly, regeneration of the mouse distal digit shares morphological similarities with clinical cases documenting regrowth of missing distal portions of fingers in both children and adults digit tip distal digit segment tip of digit uberon UBERON:0009551 distal segment of digit UBERON:0009551 A nail, hoof or claw. MESH:D006724 uberon hoof or claw hoof, claw or nail keratin plate keratin sheath unguis UBERON:0009564 distal limb integumentary appendage UBERON:0009564 FMA:25054 region of trunk trunk subdivision uberon UBERON:0009569 subdivision of trunk UBERON:0009569 EHDAA2:0001172 EMAPA:16977 VHOG:0000910 mantle layer lateral wall midbrain midbrain lateral wall mantle layer uberon mantle layer lateral wall mesencephalon UBERON:0009581 midbrain mantle layer UBERON:0009581 TODO - developmental relationships for lines TAO:0007044 ZFA:0007044 MHB neural plate midbrain-hindbrain boundary neural plate uberon UBERON:0009615 midbrain hindbrain boundary neural plate UBERON:0009615 A presumptive structure that has the potential to develop into a midbrain. TODO - unify naming conventions BAMS:MES EFO:0003432 EHDAA2:0000615 EMAPA:16140 EMAPA:16472 TAO:0000148 ZFA:0000148 presumptive mesencephalon uberon early midbrain future midbrain mesencephalon UBERON:0009616 presumptive midbrain UBERON:0009616 EHDAA2:0002094 trunk and cervical paraxial mesenchyme uberon trunk paraxial mesenchyme UBERON:0009618 trunk paraxial mesoderm UBERON:0009618 EHDAA2:0001371 uberon pancreatis dorsalis UBERON:0009708 dorsal pancreas UBERON:0009708 EHDAA2:0001393 uberon pancreatis ventralis UBERON:0009709 ventral pancreas UBERON:0009709 The primordial embryonic connective tissue of the developing limbs, autopods and digits, consisting of mesenchymal cells supported in interlaminar jelly, that derive mostly from the mesoderm and contribute to limb connective tissue, bone and musculature in conjunction with myotome cells. EMAPA mapping from TH EMAPA:32705 uberon limb mesoderm UBERON:0009749 limb mesenchyme UBERON:0009749 An inter-phalangeal joint that connects a distal phalanx to either a medial or proximal phalanx. FMA:65024 DIJ joint DIP joint uberon UBERON:0009768 distal interphalangeal joint UBERON:0009768 The many-lobed berry cluster of cells that is the terminous of a gland where the secretion is produced is acinar in form. acinar acinus FMA:55588 uberon acini UBERON:0009842 glandular acinus UBERON:0009842 Branch or outpocketing of the digestive tract. FBbt:00100316 uberon diverticulum of gut intestinal pouch UBERON:0009854 digestive tract diverticulum UBERON:0009854 galen:Diverticulum pouch uberon diverticulum UBERON:0009856 sac UBERON:0009856 A division of the stomach. The stomach can be divided based on mucosal histology (glandular epithelium and gastric glands) and the relative position and type of gastric gland. We follow Kardong in defining stomach regions by gland, but we also include 'body of stomach'. In future we may want to have different partitions of the stomach FMA:14558 gastric zone region of stomach section of stomach uberon UBERON:0009870 zone of stomach UBERON:0009870 Intermediate segment of the autopod, between the mesopodial region and and acropodial region. Examples: metacarpal region, metatarsal region considering adding 'acropodial region' Naming conventions for pod terms under discussion within phenoscape group metacarpal or metatarsal part of limb metacarpus/metatarsus region metapodial segment cannon region equine cannon region uberon metacarpus/metatarsus metapodium UBERON:0009877 metapodium region UBERON:0009877 The collection of all skeletal elements in a mesopodium. Examples: the tarsal skeleton, the carpal skeleton Limb skeleton subdivision consisting of endochondral bones increasing the freedom of movement of the autopodia, and located between zeugopodia and autopodia.[VSAO] relationship type change: subclass skeletal subdivision (VSAO:0000042) CHANGED TO: distally_connected_to subdivision of skeleton (UBERON:0010912)[VSAO] VSAO:0005022 basipodium skeleton carpal/tarsal skeleton mesopodial skeleton mesopodium skeleton skeletal parts of mesopodium uberon basipodium mesopodium UBERON:0009878 mesopodial skeleton UBERON:0009878 EFO:0003704 TAO:0005041 ZFA:0005041 ALPM uberon UBERON:0009881 anterior lateral plate mesoderm UBERON:0009881 Mesenchyme that is part of a developing face. EMAPA:35337 FMA:302884 face mesenchyme mesenchyme of face uberon UBERON:0009891 facial mesenchyme UBERON:0009891 todo - provide definition. Clearly distinguish between lobules, lobes and acinar parts of glands (see for example lobule of mammary gland) FMA:45737 UMLS:C0921005 lobulus uberon UBERON:0009911 lobule UBERON:0009911 EHDAA2:0001315 EHDAA:1122 uberon UBERON:0009920 optic neural crest UBERON:0009920 An anatomical structure that has more than one cell as a part. CARO:0010000 FBbt:00100313 multicellular structure uberon UBERON:0010000 multicellular anatomical structure UBERON:0010000 An organ of the digestive tract that is capable of retaining and storing food This is a very broad functionally defined grouping class that collects disparate structures from insects to vertebrates BSA:0000123 TADS:0000172 TGMA:0001041 uberon UBERON:0010039 food storage organ UBERON:0010039 An extrahepatic bile duct that has the potential to develop into a common hepatic duct. EHDAA2:0000595 uberon UBERON:0010081 future common hepatic duct UBERON:0010081 Mesenchyme that has the potential to develop into a dermis. check development EHDAA2:0000598 uberon UBERON:0010083 future dermis UBERON:0010083 A developing anatomical structure that has the potential to develop into a metencephalon. EHDAA2:0000623 uberon UBERON:0010092 future metencephalon UBERON:0010092 A developing anatomical structure that has the potential to develop into a myelencephalon. EHDAA2:0000640 uberon UBERON:0010096 future myelencephalon UBERON:0010096 The distal elements of the developing limb of vertebrates that will give rise to the pedal appendages (e.g. manus, pes, paw) limb plate uberon UBERON:0010130 autopod plate UBERON:0010130 The core globe-shaped component of the camera-type eye. See notes for camera-type eye FMA:12513 MIAA:0000283 VHOG:0001616 bulbus oculi eye globe eyeball uberon eye globe UBERON:0010230 eyeball of camera-type eye UBERON:0010230 Portion of tissue that is dorsolateral to the floor plate and part of the midbrain. DHBA:12322 EFO:0003567 EHDAA2:0004375 TAO:0000761 ZFA:0000761 basal plate midbrain basal plate midbrain region uberon UBERON:0010285 midbrain basal plate UBERON:0010285 Portion of neural tube that gives rise to the midbrain. we follow ZFA in temporally dividing midbrain NT from presumptive midbrain, but in future this may be collapsed TAO:0007039 ZFA:0007039 uberon UBERON:0010286 midbrain neural tube UBERON:0010286 Developing anatomical structure that develops into the eyeball and associated structures. Multi-tissue structure that consists of the structures that develop into the retina and lens.[TAO] TAO:0002201 ZFA:0001678 future eye uberon UBERON:0010312 immature eye UBERON:0010312 An anatomical structure that develops from the neural crest. Grouping term for query purposes uberon UBERON:0010313 neural crest-derived structure UBERON:0010313 An anatomical structure that has some part that develops from the neural crest. Grouping term for query purposes uberon UBERON:0010314 structure with developmental contribution from neural crest UBERON:0010314 uberon UBERON:0010316 germ layer / neural crest UBERON:0010316 A skeletal element that has the potential to participate in endochondral ossification, and may participate in intramembranous ossification. VSAO:0000139 XAO:0004017 ZFA:0005620 endochondral replacement element uberon UBERON:0010363 endochondral element https://github.com/obophenotype/uberon/wiki/Modeling-endochondral-elements-Design-Pattern UBERON:0010363 Epithelium composed of cells that develops from the ectoderm[FMA,modified]. FMA:69064 ectoderm-derived epithelium uberon UBERON:0010371 ecto-epithelium UBERON:0010371 consider merging with dorsal pancreatic bud. Starts at CS12 in human (EHDAA2, embryology.ch 'bud anlagen') EHDAA2:0001384 FMA:79793 uberon dorsal pancreas UBERON:0010375 pancreas dorsal primordium UBERON:0010375 Starts at CS14 in human (EHDAA2) or CS13-14 (embryology.ch 'bud anlagen') EHDAA2:0001387 FMA:79794 uberon ventral pancreas UBERON:0010376 pancreas ventral primordium UBERON:0010376 Mesenchyme that develops_from a somatopleure. the way this class is defined also includes extraembryonic mesenchyme such as the amniotic mesenchyme; in future this may be restricted to embryonic derivatives EHDAA2:0001120 uberon UBERON:0010377 mesenchyme from somatopleure UBERON:0010377 The integrated unit (of the eye) that consists of the conjunctiva, the corneal surface, and the ocular mucosal adnexa including the lid margins and the meibomian gland openings, the lacrimal glands and the lacrimal drainage system, all which are critical to maintain ocular surface integrity and provide protection from external antigens and pathogenic microorganisms. EMAPA:35336 MA:0002486 eye surface eye surface region ocular surface uberon UBERON:0010409 ocular surface region UBERON:0010409 The ciliary processes are formed by the inward folding of the various layers of the choroid, i.e. , the choroid proper and the lamina basalis, and are received between corresponding foldings of the suspensory ligament of the lens. FMA:76551 ciliary processes ciliary processes set processus ciliares set of ciliary processes uberon ciliary process processus ciliares UBERON:0010427 ciliary processes UBERON:0010427 A vessel of the microcirculature, lying between the arterioles and venules; includes capillaries (blood and lymphatic), metarterioles and arteriovenous anastomoses. MESH:A07.231.432 TAO:0005251 ZFA:0005251 uberon microcirculatory vessels UBERON:0010523 microcirculatory vessel UBERON:0010523 An appendage segment that is part of a limb/fin. limb/fin segment uberon UBERON:0010538 paired limb/fin segment UBERON:0010538 The subdivision of the skeleton that consists of all the skeletal elements at the distalmost end of the autopodium - i.e. the bones of the digits or their cartilaginous precursors[VSAO,modified]. FMA:231315 VSAO:0005028 acropodial skeleton acropodium skeleton set of phalanges skeletal parts of acropodial region uberon acropodium digital skeleton digits skeleton phalangeal skeleton skeletal parts of acropodium skeleton of digits UBERON:0010543 acropodial skeleton UBERON:0010543 Subdivision of skeleton that corresponds to metapodium region, between acropodial skeleton and mesopdoial skeleton. Endochondral bone complex located between the mesopodium and the acropodium and consisting of the metacarpals or metatarsals.[VSAO] relationship type change: subclass skeletal subdivision (VSAO:0000042) CHANGED TO: connected_to subdivision of skeleton (UBERON:0010912)[VSAO] relationship type change: subclass skeletal subdivision (VSAO:0000042) CHANGED TO: distally_connected_to subdivision of skeleton (UBERON:0010912)[VSAO] VSAO:0005025 metacarpal/metatarsal skeleton metapodial skeleton metapodium skeleton skeletal parts of metapodium skeleton of metapodium uberon metapodium UBERON:0010546 metapodial skeleton UBERON:0010546 EMAPA:32720 uberon UBERON:0010700 phalanx pre-cartilage condensation UBERON:0010700 EMAPA:32721 uberon UBERON:0010701 phalanx cartilage element UBERON:0010701 Mesenchyme of the digit region. EMAPA:32719 uberon digital ray UBERON:0010702 digit mesenchyme UBERON:0010702 An organism subdivision that includes both an appendage and its accociated girdle region. Note that this includes both the skeletal elements and associated tissues (integument, muscle, etc). It is still called a complex when one of the two parts is missing (?) There are fossil fishes with only an outgrowth (no record of a girdle), including thelodonts (which have a suprabranchial fin) as well as some anaspids which have a distinctive 'paired fin' (with differing published assertions on whether it's homologous to a pec fin or pelvic fin or both or neither). There are many fishes and other vertebrates with only a girdle and no outgrowth.[VSAO] Anatomical group that consists of the soft and skeletal tissues of the appendicular region of the body and the appendage proper.[VSAO] It is still called a complex when one of the two parts is missing (?) There are fossil fishes with only an outgrowth (no record of a girdle), including thelodonts (which have a suprabranchial fin) as well as some anaspids which have a distinctive 'paired fin' (with differing published assertions on whether it's homologous to a pec fin or pelvic fin or both or neither). There are many fishes and other vertebrates with only a girdle and no outgrowth.[VSAO] note that the FMA uses the term 'limb' to refer to the entire appendage complex (free limb plus girdle region) haendel 2012-04-23T10:46:51Z FMA:7182 VSAO:0000214 appendage complex appendage-girdle complex appendage/girdle complex girdle plus limb or fin uberon limb UBERON:0010707 appendage girdle complex UBERON:0010707 Appendage girdle complex that when present, encompasses the pelvic appendicular skeleton and the pelvic girdle. Appendage girdle complex that when present, encompasses the pelvic appendage and the pelvic girdle.[VSAO] note that the FMA uses the terms 'upper limb' and 'lower limb' to refer to the entire appendage complex (free limb plus girdle region). Note the MA class 'hindlimb' may also belong here FMA:7184 VSAO:0000215 pelvic appendage/girdle complex pelvic girdle plus pelvic limb or fin pelvic girdle plus posterior limb or fin uberon lower limb lower limb and pelvic girdle lower limb and pelvis UBERON:0010709 pelvic complex UBERON:0010709 Skeletal subdivision that is a segment of the limb skeleton. note the distinction between this and skeleton of limb VSAO:0005018 uberon UBERON:0010712 limb skeleton subdivision UBERON:0010712 The collection of all skeletal elements in a single paired fin. Skeletal system that consists of the paired fins (pectoral or pelvic fins).[TAO] Skeletal system that consists of the paired fins (pectoral or pelvic fins).[VSAO] TAO:0000027 VSAO:0000169 ZFA:0000027 uberon UBERON:0010713 paired fin skeleton UBERON:0010713 The subdivision of the skeleton of either the pectoral or pelvic girdle. Skeletal subdivision that is part of the appendage girdle region.[VSAO] relationship type change: subclass skeletal subdivision (VSAO:0000042) CHANGED TO: part_of subdivision of skeleton (UBERON:0010912)[VSAO] relationship type change: subclass skeletal subdivision (VSAO:0000042) CHANGED TO: proximally_connected_to subdivision of skeleton (UBERON:0010912)[VSAO] AAO:0010686 VSAO:0000302 skeleton of girdle uberon UBERON:0010719 girdle skeleton UBERON:0010719 A bone that is part of an appendage girdle complex (i.e. any bone in a limb, fin or girdle). EMAPA:35494 MA:0000688 uberon bone of extended limb/fin region limb bone UBERON:0010740 bone of appendage girdle complex UBERON:0010740 A major subdivision of an organism that divides an organism along an axis perpedicular to the main body anterior-posterior axis. In vertebrates, this is typically a fin or limb segment. In insects, this includes segments of appendages such as antennae, as well as segments of the insect leg. FBbt:00007018 appendage segment appendicular segment uberon UBERON:0010758 subdivision of organism along appendicular axis UBERON:0010758 A skeletal element that is part of a limb and composed of cartilage tissue. uberon UBERON:0010881 limb cartilage element UBERON:0010881 A skeletal element that is part of a limb and composed of pre-cartilage tissue. uberon UBERON:0010882 limb bone pre-cartilage condensation UBERON:0010882 Anatomical cluster consisting of the skeletal elements (i.e. bone elements, cartilage elements, cartilage condensations) that are part of an individual subdivision of the organism. Excludes joints. Anatomical cluster consisting of the skeletal elements that are part of the skeleton.[VSAO] FMA:23879 VSAO:0000042 skeletal subdivision uberon subdivision of skeleton (in vivo) UBERON:0010912 subdivision of skeleton UBERON:0010912 Joint in which the articulating bones or cartilages are connected by ligaments or fibrocartilage without an intervening synovial cavity. Examples: sagittal suture, inferior tibiofibular syndesmosis, costochondral joint, pubic symphysis. FMA:7491 solid joint uberon UBERON:0011134 nonsynovial joint UBERON:0011134 Subdivision of the skeletal system which consists of the axial skeleton plus associated joints. FMA:7483 uberon UBERON:0011137 axial skeletal system http://purl.obolibrary.org/obo/uberon/docs/The-axial-skeleton UBERON:0011137 Subdivision of the skeletal system which consists of the post-cranial axial skeleton plus associated joints. axial skeletal system FMA:302077 uberon UBERON:0011138 post-cranial axial skeletal system http://purl.obolibrary.org/obo/uberon/docs/The-axial-skeleton UBERON:0011138 Any synovial joint that is part of a (free) limb. FMA:258776 synovial joint of free limb segment uberon UBERON:0011139 Most limb joints are synovial, but a few such as the tibiofibular joints are syndesmoses. synovial limb joint UBERON:0011139 Subdivision of urinary system which consists of the kidney and the ureters. FMA:45658 galen:UpperUrinaryTract uberon UBERON:0011143 upper urinary tract UBERON:0011143 A sphincter muscle that is part of the gastrointestinal system UMLS:C1517464 uberon UBERON:0011185 gastrointestinal sphincter UBERON:0011185 A multi cell part structure that is part of a central nervous system. FMA:83143 cell part cluster of neuraxis neuraxis layer uberon UBERON:0011215 central nervous system cell part cluster UBERON:0011215 A subdivision of an anatomical system. FBbt:00007330 FMA:67509 uberon UBERON:0011216 organ system subdivision UBERON:0011216 Muscles within the eye (bulbus oculi).[AAO] AAO:0010038 EMAPA:18808 FMA:49150 intrinsic muscle of eyeball intrinsic ocular muscle uberon UBERON:0011222 intra-ocular muscle UBERON:0011222 Subdivision of the skeletal system which consists of the appendicular skeleton plus associated joints. Skeletal system which consists of the appendicular skeleton plus associated joints.[VSAO] FMA:7484 VHOG:0001666 VSAO:0000306 uberon UBERON:0011249 appendicular skeletal system https://github.com/obophenotype/uberon/wiki/Appendages-and-the-appendicular-skeleton UBERON:0011249 A bone that is part of a autopod region. Note that this incudes the carpal and tarsal bones. https://github.com/obophenotype/uberon/wiki/Skeleton-partonomy-Design-Pattern uberon UBERON:0011250 autopod bone UBERON:0011250 compare with 'stratum basale of epidermis'. This class is the source for many adult structures - see WP2062. See also: 'enveloping layer of ectoderm' EHDAA2:0001845 uberon basal cell layer of skin outer epithelium of body UBERON:0011272 embryonic skin basal layer UBERON:0011272 The collection of all skeletal elements in an individual limb or fin. Skeletal subdivision that is part of the paired limb/fin.[VSAO] VSAO:0000301 limb/fin skeleton skeletal parts of limb/fin skeleton of limb/fin uberon UBERON:0011582 paired limb/fin skeleton UBERON:0011582 Proximal element of a free limb skeleton consisting of the femur and humerus in the forelimb stylopodium and hindlimb stylopodium respectively[VSAO, modified]. Proximal element of the limb skeleton consisting of the femur and humerus in the forelimb stylopodium and hindlimb stylopodium respectively.[VSAO] propodial stylopodial VSAO:0005007 stylopodium skeleton uberon mesomere 1 propodial skeleton propodium proximal metapterygial mesomere stylopod stylopodium UBERON:0011583 stylopodial skeleton UBERON:0011583 Section of the forelimb skeleton located between the stylopodium and the autopodium. zeugopodial zygopodial VSAO:0005010 epipodial skeleton skeleton of zeugopod zeugopod skeleton uberon epipodium mesomere 2 mesomere 2 skeleton zygopodium UBERON:0011584 zeugopodial skeleton UBERON:0011584 Anatomical structure that is an aggregation of similar cells from which cartilages and bones form, and from which chondrogenesis and osteogenesis are initiated during repair and/or regeneration. (Hall and Miyake 1995). consider obsoleting, coordinate with VSAO VSAO:0000006 XAO:0004021 uberon UBERON:0011585 cell condensation UBERON:0011585 A major subdivision of an organism that divides an organism along its main body axis (typically anterio-posterior axis). In vertebrates, this is based on the vertebral column. Ideally this would be disjoint with analagous class for appendicular axes, but currently 'appendages' like antennae, horns cause a problem axial subdivision of organism uberon body segment main body segment UBERON:0011676 subdivision of organism along main body axis UBERON:0011676 A cardiovascular system that is part of a conceptus. EHDAA2:0000216 FMA:305965 conceptus cardiovascular system uberon embryonic circulatory system fetal circulatory system UBERON:0011695 embryonic cardiovascular system UBERON:0011695 Ectodermal placode that does not develop into a component of the nervous system. uberon UBERON:0011814 non-neurogenic ectodermal placode UBERON:0011814 Connective tissue, which consists of a population of connective tissue cells, the intercellular matrix of which contains an irregular network of collagen and elastic fiber bundles. Examples: areolar tissue, mucoid tissue, connective tissue of peritoneum, connective tissue of fibrous pericardium. FMA:20107 uberon UBERON:0011821 irregular connective tissue UBERON:0011821 Irregular connective tissue is an irregular connective tissue, the intercellular matrix of which contains a dense irregular network of collagen and elastic fiber bundles. Examples: connective tissue of peritoneum, connective tissue of fibrous pericardium. Tissue characterized by a thick, random arrangement of collagen and elastin fibers with very few cells. The majority of the cells are fibroblasts, but mast cells and macrophages may also be seen. It is found in the dermis, periosteum, perichondrium, capsules of organs and sheaths of nerves and muscles[NCIT] FMA:20109 UMLS:C0738366 irregular dense connective tissue typus irregularis (textus connectivus collagenosus compactus) uberon UBERON:0011822 dense irregular connective tissue UBERON:0011822 Dense connective tissue is mainly composed of collagen type I. Crowded between the collagen fibers are rows of fibroblasts, fiber-forming cells, that manufacture the fibers. Dense connective tissue forms strong, rope-like structures such as tendons and ligaments. Tendons attach skeletal muscles to bones; ligaments connect bones to bones at joints. Ligaments are more stretchy and contain more elastic fibers than tendons. Dense connective tissue also make up the lower layers of the skin (dermis), where it is arranged in sheets our OWL definition states that this is differentiated from other connective tissue types by virtue of the fact that the collage fiber component predominates, as opposed to cells and fluid. Connective tissue in which the fibrous component predominates. The cells, ground substance, and tissue fluid represent a minor component[NCIT] AAO:0000121 UMLS:C1511770 uberon UBERON:0011823 dense connective tissue UBERON:0011823 Irregular connective tissue, the intercellular matrix of which contains a sparse irregular network of collagen and elastic fiber bundles. Examples: areolar tissue, neuroglial tissue, mucoid tissue. FMA:19783 UMLS:C1253917 textus connectivus collagenosus laxus textus connectivus laxus uberon UBERON:0011825 loose connective tissue UBERON:0011825 An acinus that is part of a exocrine gland. exocrine gland acinus uberon UBERON:0011858 acinus of exocrine gland UBERON:0011858 the FMA class specifically refers to ureter FMA:63212 MESH:D024022 NIF_Subcellular:sao7547390221 uberon UBERON:0011860 collection of collagen fibrils UBERON:0011860 Front (ventral) portion of the vascular, pigmentary, or middle coat of the eye, including the ciliary body and the iris. Haller tunica vascula anterior part of uveal tract anterior uveal tract anterior vascular layer of the eyeball anterior vascular tunic of the eye tunica vasculosa bulbosa ventral uveal tract uberon ciliary body and iris vasculosa oculi UBERON:0011892 anterior uvea UBERON:0011892 Epimysium is a layer of connective tissue which ensheaths the entire muscle. It is composed of dense irregular connective tissue. It is continuous with fascia and other connective tissue wrappings of muscle including the endomysium, and perimysium. It is also continuous with tendons where it becomes thicker and collagenous. The Epimysium also protects muscles from friction against other muscles and bones FMA:9726 UMLS:C0504096 fascia of muscle organ uberon epimysia UBERON:0011899 epimysium UBERON:0011899 A region of the stomach that is lined with glandular epithelium. as currently defined, this would include the cardiac antrum; however, the intent may be to exclude the cardiac glands and in mice for this to be part of the region distal to the margo plicatus EMAPA:17623 MA:0001613 UMLS:C0227197 uberon glandular stomach UBERON:0011953 stomach glandular region UBERON:0011953 The aggregate of the coelemic cavity lumen plus the membranes that line the lumen. EHDAA2 distingsuishes between the lumen, the lining, and the 'coelomic cavity', which despire it's name, is not a space - it is the aggregate of space plus lining. coelomic EHDAA2:0004731 enterocoelom haemocoelom schizocoelom uberon coelem coelomic cavity UBERON:0011997 coelom UBERON:0011997 uberon UBERON:0012139 segment of autopod UBERON:0012139 A segment of the autopod consisting of both acropodial region and metapodial region, but excluding the mesopodial/basopodial region. some sources call this the acropodium. see https://github.com/obophenotype/uberon/wiki/Subdivisions-of-the-autopod uberon acropodium (Wagner) UBERON:0012140 digitopodium region https://github.com/obophenotype/uberon/wiki/Subdivisions-of-the-autopod UBERON:0012140 A subdivision of the autopod skeleton consisting of both acropodial skeleon and metapodial skeleton, but excluding the mesopodial/basopodial skeleton. some sources call this the acropodium. see https://github.com/obophenotype/uberon/wiki/Subdivisions-of-the-autopod uberon digitopodium skeleton of digits UBERON:0012150 skeleton of digitopodium https://github.com/obophenotype/uberon/wiki/Subdivisions-of-the-autopod UBERON:0012150 An epithelium that consists of columnar epithelial cells. Columnar epithelia are epithelial cells whose heights are at least four times their width. Columnar epithelia are divided into simple (or unilayered), and the rarer stratified (or multi-layered).[WP, modified] uberon UBERON:0012274 columnar epithelium UBERON:0012274 Epithelium that derives from the mesoderm. [Automatically generated definition]. FMA:86452 mesoderm-derived epithelium mesoepithelium uberon UBERON:0012275 meso-epithelium UBERON:0012275 One of the pair of mesenchymal swellings (folds) located on either side of the cloacal membrane during the indifferent stage of embryonic development; cranial to the cloacal membrane the folds unite to form the genital tubercle; caudally the folds are subdivided into urogenital folds anteriorly and anal folds posteriorly cloacal fold EHDAA2:0004009 uberon UBERON:0012292 We presume this is distinct from AAO:0001003, an external integumentary structure - check with amphibian anatomy ontology developers. AO notes: the text def states mesenchymal swelling, EHDAA2 splits into mesenchymal and epithelial parts embryonic cloacal fold UBERON:0012292 Skeletal subdivision consisting of all the skeletal elements in a single fin. skeleton of fin uberon UBERON:0012353 fin skeleton UBERON:0012353 The segment of the autopod that is distal to the metapodial region and consists of the digits. class refers to an entire limb segment, not just the bones acropodial limb segment acropodial region acropodial segment of autopod set of digits uberon UBERON:0012354 acropodium region UBERON:0012354 A bone that is part of a the digitopodium skeleton - i.e. the acropodial skeleton or the metapodial skeleton. uberon digit bone UBERON:0012357 digitopodium bone UBERON:0012357 EHDAA2:0004588 uberon UBERON:0012361 internal anal region UBERON:0012361 Blood-forming tissue, consisting of reticular fibers and cells. Also known as hemopoietic tissue Bone marrow in humans, kidney interstitium in Danio, within a stroma of reticuloendothelial tissue CALOHA:TS-2142 FMA:14073 UMLS:C0229619 haemopoietic tissue hematopoietic tissue textus haemopoieticus bone marrow tissue uberon UBERON:0012429 hemopoietic tissue UBERON:0012429 The sclera and cornea form the fibrous tunic of the bulb of the eye; the sclera is opaque, and constitutes the posterior five-sixths of the tunic; the cornea is transparent, and forms the anterior sixth. tunica fibrosa FMA:58102 fibrous layer of eyeball uberon corneosclera fibrous tunic UBERON:0012430 tunica fibrosa of eyeball UBERON:0012430 EHDAA2:0004589 uberon UBERON:0012469 external anal region UBERON:0012469 The collection of all skeletal elements in a pelvic complex - i.e. the combination of free limb or fin plus pelvic girdle. FMA:24140 uberon bones of lower limb lower limb skeleton ossa membri inferioris pelvic complex skeleton set of bones of lower limb skeleton of posterior limb/fin and girdle UBERON:0012476 skeleton of pelvic complex UBERON:0012476 The secretory unit of a serous gland. The acinar portion is composed of serous secreting cells. FMA:86279 acinus of serous gland uberon UBERON:0013232 serous acinus UBERON:0013232 The precursor of the urethra In humans, the urethral groove is a temporary linear indentation on the underside (ventral side) of the male penis during embryonic development. It typically appears around 8 weeks of gestation and becomes closed into a normal male urethra by the 12th week sulcus urethralis primarius urethral groove urethral sulcus uberon UBERON:0013241 embryonic urethral groove UBERON:0013241 The space that surrounds an organism. external to organism outside of body uberon UBERON:0013514 space surrounding organism UBERON:0013514 A section through the tube or network of tubes that connects the ovaries to the outside of the body. FMA class may only represent the uterine portion FMA:18302 subdivision of oviduct subdivision of uterine tube uterine tube zone zone of uterine tube subdivision of fallopian tube uberon UBERON:0013515 subdivision of oviduct UBERON:0013515 uberon UBERON:0013522 subdivision of tube UBERON:0013522 2 2 An anatomical space which is the lumen of some anatomical conduit and connects two or more spaces together[FMA,modified]. FMA:9338 foramen space uberon UBERON:0013686 anatomical conduit space UBERON:0013686 A principle subdivision of an organism that includes all structures along the primary axis, typically the anterior-posterior axis, from head to tail, including structures of the body proper where present (for example, ribs), but excluding appendages. uberon UBERON:0013701 main body axis UBERON:0013701 The region of the organism associated with the visceral organs. Cardinal body part, which consists of a maximal set of diverse subclasses of organ and organ part spatially associated with the vertebral column and ribcage. Examples: There is only one body proper[FMA:231424]. AEO:0000103 BTO:0001489 EMAPA:36031 FMA:231424 uberon body whole body UBERON:0013702 body proper UBERON:0013702 Anatomical projection that is part of the integumentl system. skin projection uberon UBERON:0013703 integumentary projection UBERON:0013703 A organ component layer that is part of a integumental system. layer of skin skin layer uberon UBERON:0013754 integumentary system layer UBERON:0013754 A blood that is part of a vein. FMA:83067 blood in vein portion of venous blood venous blood uberon UBERON:0013756 venous blood UBERON:0013756 Any of the organs or elements that are part of the digestive system. Examples: tongue, esophagus, spleen, crop, lunge feeding organ, tooth elements. digestive organ digestive system organ uberon UBERON:0013765 digestive system element UBERON:0013765 Embryonic structure that gives rise to the telencephalon. EHDAA2:0004424 EMAPA:36024 TAO:0000571 ZFA:0000571 presumptive telencephalon uberon UBERON:0014371 paired anteriolateral division of the embryonic prosencephalon plus the lamina terminalis from which the olfactory lobes, cerebral cortex, and subcortical nuclei are derived[MP] future telencephalon UBERON:0014371 Mesenchyme that develops_from the neural crest[Automatically generated definition]. EMAPA:32735 FMA:293883 mesenchyme from neural crest neural crest derived mesenchyme neural crest mesenchyme uberon UBERON:0014387 mesenchyme derived from neural crest UBERON:0014387 Subdivision of skeletal system that consists of all skeletal elements in the thoracic region of the trunk. In most vertebrates this is the rib cage and sternum. EHDAA2:0002013 FMA:77169 skeleton of thorax thoracic part of axial skeleton thoracic skeleton uberon UBERON:0014477 thoracic skeleton UBERON:0014477 A duct that is located between lobules, within the thin connective tissue septa that separate lobules. All interlobular ducts are excretory. uberon UBERON:0014716 interlobular duct UBERON:0014716 A duct that is located within a lobule, with no more connective tissue intervening between ducts and secretory units (i.e., acini or tubules) than between adjacent secretory units. Intercalated and striated ducts are intralobular uberon intralobular ductule UBERON:0014719 intralobular duct UBERON:0014719 A muscle organ that consists of skeletal muscle tissue ensheathed in epimysium, that develops from myotome and that is innervated by some somatic motor neuron. Skeletal muscles are typically attached (via a tendon) to a bone but there are exceptions (e.g. intrinsic tongue muscles). skeletal muscle AAO:0011099 BTO:0001103 CALOHA:TS-0933 EFO:0000888 EHDAA:5035 EHDAA:5043 EHDAA:5978 EHDAA:5984 EMAPA:35988 EV:0100377 GAID:141 MA:0003148 MAT:0000302 MESH:D018482 MIAA:0000302 OpenCyc:Mx4rv2kf-5wpEbGdrcN5Y29ycA TAO:0005277 VHOG:0000319 XAO:0000174 ZFA:0005277 uberon UBERON:0014892 skeletal muscle organ UBERON:0014892 A portion of tissue that will develop into vasculature. EFO:0003708 TAO:0005076 ZFA:0005076 uberon UBERON:0014903 primordial vasculature UBERON:0014903 A phalanx bone or its cartilage or pre-cartilage precursor. phalanx skeletal element phalanx element uberon UBERON:0015023 phalanx endochondral element UBERON:0015023 A limb bone or its cartilage or pre-cartilage precursor. limb bone skeletal element limb bone endochondral element uberon UBERON:0015061 limb endochondral element UBERON:0015061 A endochondral element that is part of a autopod region. uberon UBERON:0015063 autopod endochondral element UBERON:0015063 A autopod endochondral element that is composed primarily of a cartilage tissue. uberon UBERON:0015064 autopod cartilage UBERON:0015064 Any structure that is placed on one side of the left-right axis of a bilaterian. This class is primarily to implement taxon constraints. It may be removed in the future. uberon UBERON:0015212 lateral structure UBERON:0015212 A hollow, muscular organ, which, by contracting rhythmically, contributes to the circulation of lymph, blood or analogs. Examples: a chambered vertebrate heart; the tubular peristaltic heart of ascidians; the dorsal vessel of an insect; the lymoh heart of a reptile. heart SPD:0000130 cardiac pump heart or heart like organ circulatory vessel uberon cardiac structure UBERON:0015228 circulatory organ UBERON:0015228 MA:0002449 heart/pericardium uberon UBERON:0015410 heart plus pericardium UBERON:0015410 FMA:62798 portion of heterogeneous tissue uberon UBERON:0015757 heterogeneous tissue UBERON:0015757 A epithelium that is part of a camera-type eye. EMAPA:35957 MA:0003162 uberon UBERON:0015808 eye epithelium UBERON:0015808 A epithelium that is part of a foregut. EMAPA:32922 MA:0003204 uberon UBERON:0015833 foregut epithelium UBERON:0015833 An roughly circular indentation in a surface. AEO:0000204 uberon UBERON:0016566 pit UBERON:0016566 Primordium that develops into the central nervous system UBERON:3000469 future CNS presumptive central nervous system uberon UBERON:0016879 future central nervous system UBERON:0016879 Primordium that develops into the nervous system UBERON:3000477 AAO:0000477 presumptive nervous system uberon UBERON:0016880 future nervous system UBERON:0016880 The part of the conceptus that may be lost before birth or will be discarded at birth, or when the embryo becomes an independent organism. AEO:0000195 EHDAA2:0000003 EMAPA:16042 extra-embryonic component extraembryonic component uberon UBERON:0016887 entire extraembryonic component UBERON:0016887 An embryonic anatomical entity that will turn into one or more other anatomical entities, perhaps with other anatomical entities, later in development. AEO:0000132 uberon UBERON:0016888 transitional anatomical structure UBERON:0016888 A mesenchyme-derived anatomical entity undergoing a transtion to become another structure. AEO:0001016 uberon UBERON:0017650 developing mesenchymal structure UBERON:0017650 A viscus that is part of a abdomen. FMA:32413 FMA:67355 abdominal viscera abdominal viscera set set of abdominal viscera uberon UBERON:0017672 abdominal viscera UBERON:0017672 Added for consistency with MA EMAPA and EHDAA2. See https://github.com/obophenotype/mouse-anatomy-ontology/issues/104 EHDAA2:0001842 EMAPA:35578 MA:0000165 uberon UBERON:0018254 skeletal musculature UBERON:0018254 A membranous sac in animals that serves as the receptacle of a liquid or contains gas. BTO:0000123 bladder uberon UBERON:0018707 bladder organ UBERON:0018707 The part of the eye that consists of both the retina and the optic choroid chorioretina choroid and retina retinachoroid retinachoroidal region uberon UBERON:0019207 chorioretinal region UBERON:0019207 EMAPA:35952 MA:0003174 uberon UBERON:0019304 sensory organ epithelium UBERON:0019304 FMA:58315 uberon surface of region of wall of eyeball UBERON:0022288 surface of eyeball UBERON:0022288 Single layer of a laminar structure, identified by different density, arrangement or size of cells and processes arranged in flattened layers or lamina[CUMBO]. this is currently used to group some cellular layers that may not strictly conform to the CARO definition of cell-part layer. Consider genericisizing and introducing subtypes for cellular layer, fibrous layer and cell soma layer lamina layer uberon UBERON:0022303 nervous system cell part layer UBERON:0022303 An embryonic or larval epithelium that is committed to form part of the nervous system. neurepithelium AEO:0001008 BTO:0000314 EHDAA2_RETIRED:0004654 FMA:64807 embryonic neuroepithelium neuroepithelium uberon UBERON:0034705 developing neuroepithelium UBERON:0034705 An epithelium that is undergoing proliferation to provide large numbers of neuronal cells. AEO:0001009 uberon UBERON:0034706 proliferating neuroepithelium UBERON:0034706 A neuroepithelium some of whose cells are undergoing terminal differentiation to become neuronal cells. AEO:0001010 uberon UBERON:0034707 differentiating neuroepithelium UBERON:0034707 A part of an organism or organ that is continuous with its surroundings and distinguished from its surroundings based on morphology. uberon UBERON:0034768 morphological feature UBERON:0034768 FMA:79770 uberon UBERON:0034769 lymphomyeloid tissue UBERON:0034769 An multicellular anatomical structure that has subparts of multiple organs as a part. CARO:0020001 uberon anatomical cluster UBERON:0034921 multi organ part structure UBERON:0034921 A cluster of cells, largely surrounded by a morphological boundary. CARO:0020002 FMA:62807 uberon UBERON:0034922 cell cluster UBERON:0034922 A collection of anatomical structures that are alike in terms of their morphology or developmental origin. resolve if this should be a subclass of disconnected anatomical group. Some collections (e.g. the skeleton or skull) are arguably connected uberon UBERON:0034925 anatomical collection UBERON:0034925 A region or zone on the surface of an organism that encompasses skin and any adnexa, down through muscles and bounded by underlying skeletal support structures. uberon UBERON:0034929 external soft tissue zone UBERON:0034929 The epithelial layer covering the biliary system. This includes the epithelium of the gallbladder (when present) as well as the intrahepatic and extrahepatic bile ducts. BTO:0001513 biliary system epithelium uberon biliary epithelium biliary tract epithelium UBERON:0034932 epithelium of biliary system UBERON:0034932 FMA:55268 organ sector organ zonal region organ zone uberon organ region with floating fiat boundary UBERON:0034944 zone of organ UBERON:0034944 uberon duct epithelium ductal epithelium UBERON:0034969 epithelial layer of duct UBERON:0034969 uberon UBERON:0035050 excretory duct UBERON:0035050 The primordial mouth region of the developing head. FMA:293105 primitive mouth primordial mouth uberon UBERON:0035804 future mouth UBERON:0035804 UBERON:3000961 Structures of the dermis, epidermis, glands and pigment cells recognizable on the external surfaces of the integument. This class was sourced from an external ontology (amphibian_anatomy). Its definitions, naming conventions and relationships may need to be checked for compatibility with uberon amphibian_anatomy_curators uberon/phenoscape-anatomy external integument structure A subdivision of the autopod consisting of digit plus the region incorporating a single metapodial element. These segments are typically repeated along the pre-axiom to post-axial axis. this class represents a series of phalanges plus a metapodial element plus associated soft tissues. Instances of this class typically do not form a distinct unit. digit digit ( phalanges plus metapodial) plus soft tissue digit digitopodial subdivision digit ray uberon UBERON:5002544 digit plus metapodial segment UBERON:5002544 A subdivision of the skeleton of the autopod consisting of the phalanges of a single digit plus the associated metapodial element. this class represents a series of phalanges plus a metapodial element. In comparative anatomy terminology we would call this a 'digit', but the label 'digit' is sometimes used to exclude metapodials and to include soft tissue. This series of elements is hypothesized to be homologous to radials. uberon digit digit skeleton UBERON:5102544 individual digit of digitopodial skeleton UBERON:5102544 example to be eventually removed Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete. metadata complete term created to ease viewing/sort terms for development purpose, and will not be included in a release organizational term Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release." ready for release Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors. metadata incomplete Nothing done yet beyond assigning a unique class ID and proposing a preferred term. uncurated All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor. pending final vetting Terms with this status should eventually replaced with a term from another ontology. Alan Ruttenberg group:OBI to be replaced with external ontology term A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues. Alan Ruttenberg group:OBI requires discussion axiom holds for all times Vision Release; 1.0.11 has part my body has part my brain (continuant parthood, two material entities) my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity) this year has part this day (occurrent parthood) a core relation that holds between a whole and its part Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime has_part BFO:0000051 uberon has_part has_part has part has part preceded by X preceded_by Y iff: end(Y) before_or_simultaneous_with start(X) x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. is preceded by preceded_by http://www.obofoundry.org/ro/#OBO_REL:preceded_by BFO:0000062 is preceded by takes place after uberon preceded_by preceded_by preceded by preceded_by precedes x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. BFO:0000063 uberon precedes precedes precedes precedes occurs in b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t occurs_in unfolds in unfolds_in Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant occurs in x anterior_to y iff x is further along the antero-posterior axis than y, towards the head. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail: bearer cjm 2009-07-31T02:15:46Z BSPO:0000096 uberon anterior_to anterior_to anterior_to x distal_to y iff x is further along the proximo-distal axis than y, towards the appendage tip. A proximo-distal axis extends from tip of an appendage (distal) to where it joins the body (proximal). BSPO:0000097 uberon distal_to distal_to distal_to x dorsal_to y iff x is further along the dorso-ventral axis than y, towards the back. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly). BSPO:0000098 uberon dorsal_to dorsal_to dorsal_to x posterior_to y iff x is further along the antero-posterior axis than y, towards the body/tail. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail. BSPO:0000099 caudal_to uberon posterior_to posterior_to posterior_to x proximal_to y iff x is closer to the point of attachment with the body than y. BSPO:0000100 uberon proximal_to proximal_to proximal_to x ventral_to y iff x is further along the dorso-ventral axis than y, towards the front. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly). BSPO:0000102 uberon ventral_to ventral_to ventral_to Further away from the surface of the organism. Thus, the muscular layer is deep to the skin, but superficial to the intestines. BSPO:0000107 uberon deep_to deep_to deep_to Near the outer surface of the organism. Thus, skin is superficial to the muscle layer. BSPO:0000108 uberon superficial_to superficial_to superficial_to X posterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the posterior portion. BSPO:0000122 uberon in_posterior_side_of in_posterior_side_of in_posterior_side_of X anterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the anterior portion. BSPO:0000123 uberon in_anterior_side_of in_anterior_side_of in_anterior_side_of X in_lateral_side_of Y <=> if X is in_left_side_of Y or X is in_right_side_of Y. X is often, but not always a paired structure BSPO:0000126 uberon in_lateral_side_of in_lateral_side_of in_lateral_side_of https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern X proximalmost_part_of Y <=> X is part_of Y and X is adjacent_to the proximal boundary of Y BSPO:0001106 uberon proximalmost_part_of proximalmost_part_of proximalmost_part_of X distalmost_part_of Y <=> X is part_of Y and X is adjacent_to the distal boundary of Y BSPO:0001108 uberon distalmost_part_of distalmost_part_of distalmost_part_of An electrocardiogram qt prolonged AE is_evidence_of arrhythmia AE; arrhythmia AE is_evidence_of cardiomyopathy AE; fever AE is_evidence_of inflammation AE; fever AE is_evidence_of viral infection AE; plural effusion AE is_evidence_of cardiac disorder AE. This represents a relation between two adverse events AE1 and AE2. However, AE1 may be an evidence of another adverse event AE3, and a dfferent adverse event AE4 may also be an evidence of the same AE2. SS, YH, YL is evidence of An adverse event has a participant quality, such as a hyperkalemia AE has a participatn quality blood potassium increased. an object property that represents a relation between a process and a quality, in which the process has a participant that has the quality. Yongqun He has participant quality a 'occurs in' relation that is applied at the adverse event setting and indicates where an adverse event occurs in. Yongqun He adverse event occurs in participates in this blood clot participates in this blood coagulation this input material (or this output material) participates in this process this investigator participates in this investigation a relation between a continuant and a process, in which the continuant is somehow involved in the process participates_in participates in RO:0000087 chebi_ontology has_role 0 0 has_role has role RO:0001015 uberon location_of location_of location_of RO:0001025 uberon located_in located_in located_in RO:0002002 uberon has_boundary has_boundary has boundary RO:0002007 uberon bounding_layer_of bounding_layer_of A relationship that applies between a continuant and its outer, bounding layer. Examples include the relationship between a multicellular organism and its integument, between an animal cell and its plasma membrane, and between a membrane bound organelle and its outer/bounding membrane. bounding layer of X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) David Osumi-Sutherland starts_at_end_of A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251]. RO:0002087 directly preceded by is directly preceded by is immediately preceded by starts_at_end_of uberon immediately_preceded_by immediately_preceded_by X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) immediately preceded by immediately_preceded_by RO:0002150 uberon continuous_with continuous_with continuous_with Binary relationship: x connected_to y if and only if there exists some z such that z connects x and y in a ternary connected_to(x,y,z) relationship. RO:0002170 uberon connected_to connected_to Connection does not imply overlaps. connected to Binary relationship: z connects x if and only if there exists some y such that z connects x and y in a ternary connected_to(x,y,z) relationship. this is currently used for both structural relationships (such as between a valve and the chamber it connects) and abstract relationships (anatomical lines and the entities they connect) RO:0002176 uberon connects connects connects relation between an artery and the structure is supplies with blood. FMA:86003 RO:0002178 arterial supply of uberon supplies supplies source: FMA supplies x surrounded_by y iff: x is adjacent to y and for every region r adjacent to x, r overlaps y RO:0002219 uberon surrounded_by surrounded_by surrounded_by x adjacent_to y iff: x and y share a boundary RO:0002220 uberon adjacent_to adjacent_to adjacent_to inverse of surrounded_by RO:0002221 uberon surrounds surrounds surrounds Relation between occurrents, shares a start boundary with. RO:0002223 uberon starts starts starts Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. Chris Mungall started by RO:0002224 uberon starts_with starts_with starts with starts with Relation between occurrents, shares an end boundary with. RO:0002229 finishes uberon ends ends ends x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. Chris Mungall finished by RO:0002230 uberon ends_with ends_with ends with ends with RO:0002254 uberon has_developmental_contribution_from has_developmental_contribution_from has developmental contribution from t1 developmentally_induced_by t2 if there is a process of organ induction (GO:0001759) with t1 and t2 as interacting participants. t2 causes t1 to change its fate from a precursor tissue type T to T', where T' develops_from T. RO:0002256 uberon developmentally_induced_by developmentally_induced_by sources for developmentally_induced_by relationships in Uberon: Developmental Biology, Gilbert, 8th edition, figure 6.5(F) developmentally_induced_by RO:0002285 uberon developmentally_replaces developmentally_replaces developmentally_replaces RO:0002351 uberon has_member has_member has member FMA:85990 RO:0002371 uberon attaches_to attaches_to attaches_to x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y RO:0002385 uberon has_potential_to_developmentally_contribute_to has_potential_to_developmentally_contribute_to has potential to developmentally contribute to x has the potential to develop into y iff x develops into y or if x is capable of developing into y RO:0002387 uberon has_potential_to_develop_into has_potential_to_develop_into has potential to develop into RO:0002433 uberon contributes_to_morphology_of contributes_to_morphology_of contributes to morphology of x composed_primarily_of y iff: more than half of the mass of x is made from parts of y UBREL:0000002 RO:0002473 uberon composed_primarily_of composed_primarily_of composed primarily of Relation between continuant c and occurrent s, such that every instance of c comes into existing during some s. BFO:0000068 RO:0002488 begins_to_exist_during uberon existence_starts_during existence_starts_during existence starts during Relation between continuant and occurrent, such that c comes into existence at the start of p. RO:0002489 uberon existence_starts_with existence_starts_with existence starts with Relation between continuant c and occurrent s, such that every instance of c ceases to exist during some s, if it does not die prematurely. BFO:0000069 RO:0002492 ceases_to_exist_during uberon existence_ends_during existence_ends_during existence ends during Relation between continuant and occurrent, such that c ceases to exist at the end of p. RO:0002493 uberon existence_ends_with existence_ends_with existence ends with RO:0002494 transforms from uberon transformation_of transformation_of transformation of RO:0002495 direct_transformation_of immediately transforms from uberon immediate_transformation_of immediate_transformation_of immediate transformation of RO:0002496 uberon existence_starts_during_or_after existence_starts_during_or_after existence starts during or after RO:0002497 uberon existence_ends_during_or_before existence_ends_during_or_before existence ends during or before A relation between a subdivision of an organism and the single subdivision of skeleton that provides structural support for that subdivision. RO:0002551 uberon has sekeletal support has supporting framework has_skeleton has_skeleton has skeleton RO:0002572 uberon luminal_space_of luminal_space_of luminal space of RO:0002576 uberon skeleton_of skeleton_of skeleton of RO:0003000 uberon produces produces produces RO:0003001 uberon produced_by produced_by produced_by has...channel tropism 归...经 has..nature 具有...药性 has...flavour 具有...药味 has...toxicity 具有...毒性 Draft version Jiahao Wang Qingping Liu Yongqun Oliver He 2017-04-20 The Ontology of Chinese Medicine for Rheumatism (OCMR) is a biomedical ontology that represents traditional Chinese medications for treating various rheumatism diseases, their ingredients, and adverse events, and other related information. OWL-DL An ontology of adverse events associated with Chinese medicines. OCMR: Ontology of Chinese Medicine for Rheumatism Vision Release; 1.0.11 BFO_0000051 chebi_ontology has_part 0 has_part has part chebi_ontology has_functional_parent 0 0 has functional parent chebi_ontology has_parent_hydride 0 0 has parent hydride chebi_ontology is_conjugate_acid_of 1 0 is conjugate acid of chebi_ontology is_conjugate_base_of 1 0 is conjugate base of chebi_ontology is_enantiomer_of 1 0 is enantiomer of chebi_ontology is_substituent_group_from 0 0 is substituent group from chebi_ontology is_tautomer_of 1 is tautomer of carries uberon channel_for channel for uberon channels_from channels_from uberon channels_into channels_into x is a conduit for y iff y passes through the lumen of x. uberon conduit_for conduit for x distally_connected_to y iff the distal part of x is connected to y. i.e. x connected_to y and x proximal_to y. uberon distally_connected_to distally connected to uberon evolved_from Status: experimental evolved_from uberon existence_starts_and_ends_during existence starts and ends during uberon protects protects x proximally_connected_to y iff the proximal part of x is connected to y. i.e. x connected_to y and x distal_to y. uberon proximally_connected_to proximally connected to uberon subdivision_of placeholder relation. X = 'subdivision of A' and subdivision_of some B means that X is the mereological sum of A and B subdivision of