format-version: 1.2 data-version: releases/2023-03-09 subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: abnormal_slim "" subsetdef: absent_slim "" subsetdef: added_for_HCA "" subsetdef: attribute_slim "" subsetdef: biosapiens "" subsetdef: cell_quality "" subsetdef: common_anatomy "" subsetdef: cumbo "" subsetdef: cyclostome_subset "" subsetdef: defined_by_ordinal_series "" subsetdef: developmental_classification "" subsetdef: disposition_slim "" subsetdef: early_development "" subsetdef: efo_slim "" subsetdef: emapa_ehdaa2 "" subsetdef: functional_classification "" subsetdef: gocheck_do_not_annotate "" subsetdef: gocheck_do_not_manually_annotate "" subsetdef: goslim_agr "" subsetdef: goslim_candida "" subsetdef: goslim_chembl "" subsetdef: goslim_drosophila "" subsetdef: goslim_flybase_ribbon "" subsetdef: goslim_generic "" subsetdef: goslim_metagenomics "" subsetdef: goslim_mouse "" subsetdef: goslim_pir "" subsetdef: goslim_plant "" subsetdef: goslim_pombe "" subsetdef: goslim_synapse "" subsetdef: goslim_yeast "" subsetdef: grouping_class "" subsetdef: homology_grouping "" subsetdef: hpo_slim "" subsetdef: hposlim_core "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_gp2term "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_ontology "" subsetdef: http://purl.obolibrary.org/obo/valid_for_gocam "" subsetdef: human_reference_atlas "" subsetdef: inconsistent_with_fma "" subsetdef: location_grouping "" subsetdef: major_organ "" subsetdef: mpath_slim "" subsetdef: non_informative "" subsetdef: organ_slim "" subsetdef: pheno_slim "" subsetdef: phenotype_rcn "" subsetdef: prokaryote_subset "" subsetdef: relational_slim "" subsetdef: ro-eco "" subsetdef: RO:0002259 "" subsetdef: scalar_slim "" subsetdef: SOFA "" subsetdef: uberon_slim "" subsetdef: ubprop:upper_level "" subsetdef: unverified_taxonomic_grouping "" subsetdef: upper_level "" subsetdef: value_slim "" subsetdef: vertebrate_core "" synonymtypedef: ABBREVIATION "abbreviation" synonymtypedef: abbreviation "" synonymtypedef: blast_name "" synonymtypedef: BRAND_NAME "" synonymtypedef: common_name "" synonymtypedef: COMPARATIVE_PREFERRED "" synonymtypedef: DEPRECATED "" synonymtypedef: DUBIOUS "" synonymtypedef: equivalent_name "" synonymtypedef: genbank_common_name "" synonymtypedef: Gene-based "" synonymtypedef: HOMOLOGY "" synonymtypedef: HUMAN_PREFERRED "" synonymtypedef: in_part "" synonymtypedef: INCONSISTENT "" synonymtypedef: INN "" synonymtypedef: IUPAC_NAME "" synonymtypedef: LATIN "" synonymtypedef: layperson "" synonymtypedef: MISSPELLING "" synonymtypedef: NON_MAMMAL "" synonymtypedef: PENDING_REVIEW "" synonymtypedef: PLURAL "" synonymtypedef: plural_form "" synonymtypedef: PRO-proteoform-ftid "" synonymtypedef: PRO-proteoform-std "" synonymtypedef: PRO-short-label "" synonymtypedef: scientific_name "" synonymtypedef: SENSU "" synonymtypedef: synonym "" synonymtypedef: SYSTEMATIC "" synonymtypedef: systematic_synonym "" synonymtypedef: uk_spelling "" ontology: maxo property_value: dc-creator "Leigh Carmody" xsd:string property_value: dc-creator "Peter Robinson" xsd:string property_value: dc-description "An ontology to represent medically relevant actions, procedures, therapies, interventions, and recommendations." xsd:string property_value: dc-title "Medical Action Ontology" xsd:string property_value: dcterms-license https://creativecommons.org/licenses/by/4.0/ property_value: owl:versionInfo "2023-03-09" xsd:string [Term] id: BFO:0000001 name: entity property_value: BFO:0000179 "entity" xsd:string property_value: BFO:0000180 "Entity" xsd:string property_value: editor_note "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" xsd:string property_value: editor_note "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" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000004", comment="per discussion with Barry Smith", http://www.w3.org/2000/01/rdf-schema#seeAlso="http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"} property_value: IAO:0000112 "Julius Caesar" xsd:string property_value: IAO:0000112 "the Second World War" xsd:string property_value: IAO:0000112 "Verdi’s Requiem" xsd:string property_value: IAO:0000112 "your body mass index" xsd:string property_value: IAO:0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/001-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant def: "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." [] is_a: BFO:0000001 ! entity disjoint_from: BFO:0000003 ! occurrent relationship: part_of BFO:0000002 {all_only="true"} ! continuant property_value: BFO:0000179 "continuant" xsd:string property_value: BFO:0000180 "Continuant" xsd:string property_value: editor_note "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" xsd:string property_value: editor_note "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" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000007"} property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/008-002"} property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/126-001"} property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/009-002"} property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/011-002"} property_value: IAO:0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/009-002"} property_value: IAO:0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/126-001"} property_value: IAO:0000602 "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/008-002"} property_value: IAO:0000602 "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/011-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent def: "An entity that has temporal parts and that happens, unfolds or develops through time." [] is_a: BFO:0000001 ! entity relationship: part_of BFO:0000003 {all_only="true"} ! occurrent property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string property_value: editor_note "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" xsd:string property_value: editor_note "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." xsd:string property_value: editor_note "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." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000006", comment="per discussion with Barry Smith"} property_value: editor_note "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." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000012"} property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/077-002"} property_value: IAO:0000601 "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/079-001"} property_value: IAO:0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/108-001"} property_value: IAO:0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/108-001"} property_value: IAO:0000602 "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/079-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000004 name: independent continuant def: "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything." [] def: "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])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000031 ! generically dependent continuant relationship: part_of BFO:0000004 {all_only="true"} ! independent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string property_value: IAO:0000112 "a chair" xsd:string property_value: IAO:0000112 "a heart" xsd:string property_value: IAO:0000112 "a leg" xsd:string property_value: IAO:0000112 "a molecule" xsd:string property_value: IAO:0000112 "a spatial region" xsd:string property_value: IAO:0000112 "an atom" xsd:string property_value: IAO:0000112 "an orchestra." xsd:string property_value: IAO:0000112 "an organism" xsd:string property_value: IAO:0000112 "the bottom right portion of a human torso" xsd:string property_value: IAO:0000112 "the interior of your mouth" xsd:string property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/134-001"} property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/018-002"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/018-002"} property_value: IAO:0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/134-001"} property_value: IAO:0000602 "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000006 name: spatial region is_a: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "s-region" xsd:string property_value: BFO:0000180 "SpatialRegion" xsd:string property_value: editor_note "BFO 2 Reference: Spatial regions do not participate in processes." xsd:string property_value: editor_note "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000002", comment="per discussion with Barry Smith"} property_value: IAO:0000600 "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/035-001"} property_value: IAO:0000601 "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/036-001"} property_value: IAO:0000602 "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/036-001"} property_value: IAO:0000602 "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/035-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000015 name: process def: "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t." [] def: "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])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string property_value: editor_note "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)" xsd:string property_value: IAO:0000112 "a process of cell-division, \\ a beating of the heart" xsd:string property_value: IAO:0000112 "a process of meiosis" xsd:string property_value: IAO:0000112 "a process of sleeping" xsd:string property_value: IAO:0000112 "the course of a disease" xsd:string property_value: IAO:0000112 "the flight of a bird" xsd:string property_value: IAO:0000112 "the life of an organism" xsd:string property_value: IAO:0000112 "your process of aging." xsd:string property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000016 name: disposition is_a: BFO:0000017 ! realizable entity disjoint_from: BFO:0000023 ! role property_value: BFO:0000179 "disposition" xsd:string property_value: BFO:0000180 "Disposition" xsd:string property_value: editor_note "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." xsd:string property_value: IAO:0000112 "an atom of element X has the disposition to decay to an atom of element Y" xsd:string property_value: IAO:0000112 "certain people have a predisposition to colon cancer" xsd:string property_value: IAO:0000112 "children are innately disposed to categorize objects in certain ways." xsd:string property_value: IAO:0000112 "the cell wall is disposed to filter chemicals in endocytosis and exocytosis" xsd:string property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/062-002"} property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/063-002"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/063-002"} property_value: IAO:0000602 "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/062-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity def: "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." [] is_a: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000019 ! quality relationship: part_of BFO:0000017 {all_only="true"} ! realizable entity property_value: BFO:0000179 "realizable" xsd:string property_value: BFO:0000180 "RealizableEntity" xsd:string property_value: IAO:0000112 "the disposition of this piece of metal to conduct electricity." xsd:string property_value: IAO:0000112 "the disposition of your blood to coagulate" xsd:string property_value: IAO:0000112 "the function of your reproductive organs" xsd:string property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the role of this boundary to delineate where Utah and Colorado meet" xsd:string property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/058-002"} property_value: IAO:0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/060-002"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/060-002"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/058-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000019 name: quality is_a: BFO:0000020 ! specifically dependent continuant relationship: part_of BFO:0000019 {all_only="true"} ! quality property_value: BFO:0000179 "quality" xsd:string property_value: BFO:0000180 "Quality" xsd:string property_value: IAO:0000112 "the ambient temperature of this portion of air" xsd:string property_value: IAO:0000112 "the color of a tomato" xsd:string property_value: IAO:0000112 "the length of the circumference of your waist" xsd:string property_value: IAO:0000112 "the mass of this piece of gold." xsd:string property_value: IAO:0000112 "the shape of your nose" xsd:string property_value: IAO:0000112 "the shape of your nostril" xsd:string property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/055-001"} property_value: IAO:0000601 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/105-001"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/105-001"} property_value: IAO:0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/055-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000020 name: specifically dependent continuant def: "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." [] def: "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])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000031 ! generically dependent continuant relationship: part_of BFO:0000020 {all_only="true"} ! specifically dependent continuant property_value: BFO:0000179 "sdc" xsd:string property_value: BFO:0000180 "SpecificallyDependentContinuant" xsd:string property_value: editor_note "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." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000005", comment="per discussion with Barry Smith"} property_value: IAO:0000112 "of one-sided specifically dependent continuants: the mass of this tomato" xsd:string property_value: IAO:0000112 "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." xsd:string property_value: IAO:0000112 "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" xsd:string property_value: IAO:0000112 "the disposition of this fish to decay" xsd:string property_value: IAO:0000112 "the function of this heart: to pump blood" xsd:string property_value: IAO:0000112 "the mutual dependence of proton donors and acceptors in chemical reactions [79" xsd:string property_value: IAO:0000112 "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction" xsd:string property_value: IAO:0000112 "the pink color of a medium rare piece of grilled filet mignon at its center" xsd:string property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the shape of this hole." xsd:string property_value: IAO:0000112 "the smell of this portion of mozzarella" xsd:string property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000023 name: role def: "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." [] is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "role" xsd:string property_value: BFO:0000180 "Role" xsd:string property_value: editor_note "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." xsd:string property_value: IAO:0000112 "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." xsd:string property_value: IAO:0000112 "the priest role" xsd:string property_value: IAO:0000112 "the role of a boundary to demarcate two neighboring administrative territories" xsd:string property_value: IAO:0000112 "the role of a building in serving as a military target" xsd:string property_value: IAO:0000112 "the role of a stone in marking a property boundary" xsd:string property_value: IAO:0000112 "the role of subject in a clinical trial" xsd:string property_value: IAO:0000112 "the student role" xsd:string property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/061-001"} property_value: IAO:0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/061-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000031 name: generically dependent continuant def: "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time." [] def: "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])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} is_a: BFO:0000002 ! continuant relationship: part_of BFO:0000031 {all_only="true"} ! generically dependent continuant property_value: BFO:0000179 "gdc" xsd:string property_value: BFO:0000180 "GenericallyDependentContinuant" xsd:string property_value: IAO:0000112 "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." xsd:string property_value: IAO:0000112 "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop" xsd:string property_value: IAO:0000112 "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule." xsd:string property_value: IAO:0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000034 name: function is_a: BFO:0000016 ! disposition property_value: BFO:0000179 "function" xsd:string property_value: BFO:0000180 "Function" xsd:string property_value: editor_note "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc." xsd:string property_value: IAO:0000112 "the function of a hammer to drive in nails" xsd:string property_value: IAO:0000112 "the function of a heart pacemaker to regulate the beating of a heart through electricity" xsd:string property_value: IAO:0000112 "the function of amylase in saliva to break down starch into sugar" xsd:string property_value: IAO:0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/064-001"} property_value: IAO:0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/064-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant disjoint_from: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "material" xsd:string property_value: BFO:0000180 "MaterialEntity" xsd:string property_value: editor_note "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" xsd:string property_value: editor_note "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." xsd:string property_value: editor_note "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." xsd:string property_value: IAO:0000112 "a flame" xsd:string property_value: IAO:0000112 "a forest fire" xsd:string property_value: IAO:0000112 "a human being" xsd:string property_value: IAO:0000112 "a hurricane" xsd:string property_value: IAO:0000112 "a photon" xsd:string property_value: IAO:0000112 "a puff of smoke" xsd:string property_value: IAO:0000112 "a sea wave" xsd:string property_value: IAO:0000112 "a tornado" xsd:string property_value: IAO:0000112 "an aggregate of human beings." xsd:string property_value: IAO:0000112 "an energy wave" xsd:string property_value: IAO:0000112 "an epidemic" xsd:string property_value: IAO:0000112 "the undetached arm of a human being" xsd:string property_value: IAO:0000600 "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])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: IAO:0000601 "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000602 "(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] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} property_value: IAO:0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000141 name: immaterial entity is_a: BFO:0000004 ! independent continuant property_value: BFO:0000179 "immaterial" xsd:string property_value: BFO:0000180 "ImmaterialEntity" xsd:string property_value: editor_note "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" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: CHEBI:10545 name: electron namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "beta" RELATED [IUPAC] synonym: "beta(-)" RELATED [ChEBI] synonym: "beta-particle" RELATED [IUPAC] synonym: "e" RELATED [IUPAC] synonym: "e(-)" RELATED [UniProt] synonym: "e-" RELATED [KEGG_COMPOUND] synonym: "electron" EXACT [KEGG_COMPOUND] synonym: "electron" EXACT IUPAC_NAME [IUPAC] synonym: "electron" EXACT [ChEBI] synonym: "Elektron" RELATED [ChEBI] synonym: "negatron" RELATED [IUPAC] xref: KEGG:C05359 xref: PMID:21614077 {source="Europe PMC"} xref: Wikipedia:Electron is_a: CHEBI:36338 ! lepton property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.000548579903" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string [Term] id: CHEBI:11955 name: 4-amino-3-hydroxybutanoate namespace: chebi_ontology def: "The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "4-Amino-3-hydroxybutanoate" EXACT [KEGG_COMPOUND] xref: CAS:352-21-6 {source="KEGG COMPOUND"} xref: KEGG:C03678 {source="ChEBI"} is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion is_a: CHEBI:71666 ! gamma-amino acid anion relationship: has_functional_parent CHEBI:17968 ! butyrate relationship: is_conjugate_base_of CHEBI:16080 ! gamma-amino-beta-hydroxybutyric acid relationship: is_conjugate_base_of CHEBI:57630 ! gamma-amino-beta-hydroxybutyric acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQGDEPYYFWUPGO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.11126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05097" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(O)CC([O-])=O" xsd:string [Term] id: CHEBI:12777 name: vitamin A namespace: chebi_ontology def: "Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication." [] subset: 3_STAR synonym: "vitamin A vitamer" RELATED [ChEBI] synonym: "vitamin A vitamers" RELATED [ChEBI] synonym: "vitamin-A" RELATED [ChEBI] synonym: "vitamins A" RELATED [ChEBI] xref: MetaCyc:Vitamin-A xref: Wikipedia:Vitamin_A is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26537 ! retinoid relationship: RO:0000087 CHEBI:24020 ! has role fat-soluble vitamin (role) relationship: RO:0000087 CHEBI:25212 ! has role metabolite [Term] id: CHEBI:131530 name: pyridoxal(1+) namespace: chebi_ontology def: "A pyridinium ion obtained by protonation of the ring nitrogen of pyridoxal." [] subset: 3_STAR synonym: "4-formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium" EXACT IUPAC_NAME [IUPAC] synonym: "pyridoxal cation" RELATED [ChEBI] is_a: CHEBI:27306 ! vitamin B6 is_a: CHEBI:50334 ! pyridinium ion relationship: is_conjugate_acid_of CHEBI:17310 ! pyridoxal property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RADKZDMFGJYCBB-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.06552" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(O)=C(C)[NH+]=CC(CO)=C1C([H])=O" xsd:string [Term] id: CHEBI:131604 name: Mycoplasma genitalium metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium." [] subset: 3_STAR synonym: "Mycoplasma genitalium metabolites" RELATED [ChEBI] is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:131619 name: C27-steroid namespace: chebi_ontology def: "A steroid compound with a structure based on a 27-carbon (cholestane) skeleton." [] subset: 3_STAR synonym: "C27-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35516 ! cholestane [Term] id: CHEBI:131620 name: C24-steroid namespace: chebi_ontology def: "A steroid compound with a structure based on a 24-carbon (cholane) skeleton." [] subset: 3_STAR synonym: "C24-steroids" RELATED [ChEBI] is_a: CHEBI:131657 ! cholane derivative [Term] id: CHEBI:131657 name: cholane derivative namespace: chebi_ontology def: "Any steroid (or derivative) based on a cholane skeleton." [] subset: 3_STAR synonym: "cholane derivatives" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35519 ! cholane [Term] id: CHEBI:131699 name: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor namespace: chebi_ontology def: "A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7)." [] subset: 3_STAR synonym: "deoxynucleate polymerase inhibitor" RELATED [ChEBI] synonym: "deoxynucleate polymerase inhibitors" RELATED [ChEBI] synonym: "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor" RELATED [ChEBI] synonym: "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleate nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleate nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic acid duplicase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic acid duplicase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic acid polymerase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic acid polymerase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic duplicase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic duplicase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase I inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase I inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase inhibitors" RELATED [ChEBI] synonym: "DNA duplicase inhibitor" RELATED [ChEBI] synonym: "DNA duplicase inhibitors" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase (DNA-directed) inhibitor" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase (DNA-directed) inhibitors" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "DNA polymerase alpha inhibitor" RELATED [ChEBI] synonym: "DNA polymerase alpha inhibitors" RELATED [ChEBI] synonym: "DNA polymerase beta inhibitor" RELATED [ChEBI] synonym: "DNA polymerase beta inhibitors" RELATED [ChEBI] synonym: "DNA polymerase gamma inhibitor" RELATED [ChEBI] synonym: "DNA polymerase gamma inhibitors" RELATED [ChEBI] synonym: "DNA polymerase I inhibitor" RELATED [ChEBI] synonym: "DNA polymerase I inhibitors" RELATED [ChEBI] synonym: "DNA polymerase II inhibitor" RELATED [ChEBI] synonym: "DNA polymerase II inhibitors" RELATED [ChEBI] synonym: "DNA polymerase III inhibitor" RELATED [ChEBI] synonym: "DNA polymerase III inhibitors" RELATED [ChEBI] synonym: "DNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA polymerase inhibitors" RELATED [ChEBI] synonym: "DNA replicase inhibitor" RELATED [ChEBI] synonym: "DNA replicase inhibitors" RELATED [ChEBI] synonym: "DNA-dependent DNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA-dependent DNA polymerase inhibitors" RELATED [ChEBI] synonym: "DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor" RELATED [ChEBI] synonym: "DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors" RELATED [ChEBI] synonym: "duplicase inhibitor" RELATED [ChEBI] synonym: "duplicase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.7 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.7.7 inhibitors" RELATED [ChEBI] synonym: "Klenow fragment inhibitor" RELATED [ChEBI] synonym: "Klenow fragment inhibitors" RELATED [ChEBI] synonym: "sequenase inhibitor" RELATED [ChEBI] synonym: "sequenase inhibitors" RELATED [ChEBI] synonym: "Taq DNA polymerase inhibitor" RELATED [ChEBI] synonym: "Taq DNA polymerase inhibitors" RELATED [ChEBI] synonym: "Taq Pol I inhibitor" RELATED [ChEBI] synonym: "Taq Pol I inhibitors" RELATED [ChEBI] synonym: "Tca DNA polymerase inhibitor" RELATED [ChEBI] synonym: "Tca DNA polymerase inhibitors" RELATED [ChEBI] xref: Wikipedia:DNA_polymerase is_a: CHEBI:38234 ! DNA polymerase inhibitor [Term] id: CHEBI:131878 name: cholanic acid anion namespace: chebi_ontology def: "Any steroid acid anion based on a cholanic acid skeleton." [] subset: 3_STAR synonym: "cholanic acid anions" RELATED [ChEBI] synonym: "cholanoic acid anion" RELATED [SUBMITTER] synonym: "cholanoic acid anions" RELATED [ChEBI] xref: PMID:1527482 {source="SUBMITTER"} is_a: CHEBI:36235 ! bile acid anion [Term] id: CHEBI:131927 name: dicarboxylic acids and O-substituted derivatives namespace: chebi_ontology def: "A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens." [] subset: 3_STAR synonym: "dicarboxylic acids and derivatives" RELATED [ChEBI] is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:132124 name: 1,4-benzoquinones namespace: chebi_ontology def: "Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives." [] subset: 3_STAR synonym: "a quinone" RELATED [UniProt] synonym: "p-benzoquinones" RELATED [ChEBI] synonym: "para-benzoquinones" RELATED [ChEBI] is_a: CHEBI:22729 ! benzoquinones is_a: CHEBI:25830 ! p-quinones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6O2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C(*)=C(*)C(=O)C(*)=C1*" xsd:string [Term] id: CHEBI:132130 name: hydroxyquinone namespace: chebi_ontology def: "Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group." [] subset: 3_STAR synonym: "hydroxyquinones" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:132142 name: 1,4-naphthoquinones namespace: chebi_ontology def: "A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring." [] subset: 3_STAR is_a: CHEBI:25481 ! naphthoquinone is_a: CHEBI:25830 ! p-quinones [Term] id: CHEBI:132153 name: hyaluronate namespace: chebi_ontology def: "A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of hyaluronic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "hyaluronan" RELATED [UniProt] synonym: "hyaluronate polyanion" RELATED [ChEBI] is_a: CHEBI:61469 ! polyanionic polymer is_a: CHEBI:63551 ! carbohydrate acid derivative anion relationship: is_conjugate_base_of CHEBI:16336 ! hyaluronic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C14H20NO11)n.H2O" xsd:string [Term] id: CHEBI:132544 name: fatty acid 22:6 namespace: chebi_ontology def: "Any polyunsaturated fatty acid containing 22 carbons and 6 double bonds." [] subset: 3_STAR synonym: "FA 22:6" RELATED [ChEBI] synonym: "FA(22:6)" RELATED [ChEBI] synonym: "free fatty acid 22:6" RELATED [ChEBI] is_a: CHEBI:26208 ! polyunsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "328.496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "328.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(O)*" xsd:string [Term] id: CHEBI:132952 name: oxalate namespace: chebi_ontology def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid." [] subset: 3_STAR synonym: "ethanedioic acid anion" RELATED [ChEBI] synonym: "ethanedioic acid anions" RELATED [ChEBI] synonym: "oxalate anion" RELATED [ChEBI] synonym: "oxalate anions" RELATED [ChEBI] synonym: "oxalates" RELATED [ChEBI] synonym: "oxalic acid anion" RELATED [ChEBI] synonym: "oxalic acid anions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:16995 ! oxalic acid [Term] id: CHEBI:134179 name: volatile organic compound namespace: chebi_ontology def: "Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa." [] subset: 3_STAR synonym: "VOC" RELATED [ChEBI] synonym: "VOCs" RELATED [ChEBI] synonym: "volatile organic compounds" RELATED [ChEBI] xref: Wikipedia:Volatile_organic_compound is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:134363 name: tertiary amine oxide namespace: chebi_ontology def: "An N-oxide where there are three organic groups bonded to the nitrogen atom." [] subset: 3_STAR synonym: "tertiary amine oxides" RELATED [ChEBI] xref: Patent:EP0545208 xref: Patent:EP0757983 xref: Patent:EP0866058 xref: Patent:EP1068179 xref: Patent:US4206204 xref: Patent:WO9950236 is_a: CHEBI:35580 ! N-oxide relationship: has_functional_parent CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[N+](*)([O-])*" xsd:string [Term] id: CHEBI:135063 name: glycerylphosphorylcholine namespace: chebi_ontology subset: 2_STAR synonym: "glycerol phosphorylcholine" RELATED [DrugCentral] synonym: "glycerophosphocholine" RELATED [DrugCentral] synonym: "glycerophosphoric acid choline ester" RELATED [DrugCentral] synonym: "glycerophosphorylcholine" RELATED [DrugCentral] synonym: "glycerylphosphocholine" RELATED [DrugCentral] xref: CAS:563-24-6 {source="DrugCentral"} xref: Drug_Central:3906 {source="DrugCentral"} is_a: CHEBI:36313 ! glycerophosphocholine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H20NO6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SUHOQUVVVLNYQR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.10282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "P(OCC(CO)O)(OCC[N+](C)(C)C)(=O)[O-]" xsd:string [Term] id: CHEBI:136859 name: pro-agent namespace: chebi_ontology def: "A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent." [] subset: 3_STAR synonym: "pro-agents" RELATED [ChEBI] synonym: "proagent" RELATED [ChEBI] synonym: "proagents" RELATED [ChEBI] xref: PMID:26449612 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] id: CHEBI:136889 name: 5beta steroid namespace: chebi_ontology def: "Any steroid that has beta-configuration at position 5." [] subset: 3_STAR synonym: "5beta steroids" RELATED [ChEBI] synonym: "5beta-steroid" RELATED [ChEBI] synonym: "5beta-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:137431 name: antihypotensive agent namespace: chebi_ontology def: "A cardiovascular drug that tends to raise reduced blood pressure." [] subset: 3_STAR synonym: "antihypotensive agents" RELATED [ChEBI] synonym: "pressor" RELATED [ChEBI] synonym: "pressors" RELATED [ChEBI] synonym: "vasopressor agent" RELATED [ChEBI] synonym: "vasopressor agents" RELATED [ChEBI] xref: Wikipedia:Antihypotensive_agent is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:137982 name: tertiary ammonium ion namespace: chebi_ontology def: "An organic cation obtained by protonation of the amino group of any tertiary amino compound." [] subset: 3_STAR synonym: "a tertiary amine" RELATED [UniProt] synonym: "tertiary amine(1+)" RELATED [ChEBI] synonym: "tertiary ammonium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH+](*)(*)*" xsd:string [Term] id: CHEBI:137983 name: methylated tertiary amine namespace: chebi_ontology def: "A quaternary ammonium ion obtained by methylation of any tertiary amine" [] subset: 3_STAR synonym: "a methylated tertiary amine" RELATED [UniProt] is_a: CHEBI:35267 ! quaternary ammonium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.041" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N+](C)(*)(*)*" xsd:string [Term] id: CHEBI:138015 name: endocrine disruptor namespace: chebi_ontology def: "Any compound that can disrupt the functions of the endocrine (hormone) system" [] subset: 3_STAR synonym: "endocrine disrupting chemical" RELATED [ChEBI] synonym: "endocrine disrupting chemicals" RELATED [ChEBI] synonym: "endocrine disrupting compound" RELATED [ChEBI] synonym: "endocrine disrupting compounds" RELATED [ChEBI] synonym: "endocrine disruptors" RELATED [ChEBI] synonym: "endocrine-disrupting chemical" RELATED [ChEBI] synonym: "endocrine-disrupting chemicals" RELATED [ChEBI] synonym: "hormonally active agent" RELATED [ChEBI] synonym: "hormonally active agents" RELATED [ChEBI] xref: PMID:27929035 {source="Europe PMC"} xref: PMID:28356401 {source="Europe PMC"} xref: PMID:28526231 {source="Europe PMC"} xref: Wikipedia:Endocrine_disruptor is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:138103 name: inorganic acid namespace: chebi_ontology def: "A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water." [] subset: 3_STAR synonym: "inorganic acids" RELATED [ChEBI] synonym: "mineral acid" RELATED [ChEBI] synonym: "mineral acids" RELATED [ChEBI] xref: Wikipedia:Mineral_acid is_a: CHEBI:39141 ! Bronsted acid [Term] id: CHEBI:138366 name: bile acids namespace: chebi_ontology def: "Any member of a group of hydroxy steroids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration, while in lower vertebrates, some bile acids, known as allo-bile acids, have 5alpha-configuration." [] subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35350 ! hydroxy steroid is_a: CHEBI:36078 ! cholanoid [Term] id: CHEBI:138675 name: gas molecular entity namespace: chebi_ontology def: "Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa)." [] subset: 3_STAR synonym: "gas molecular entities" RELATED [ChEBI] synonym: "gaseous molecular entities" RELATED [ChEBI] synonym: "gaseous molecular entity" RELATED [ChEBI] xref: Wikipedia:https\://en.wikipedia.org/wiki/Gas is_a: CHEBI:33579 ! main group molecular entity [Term] id: CHEBI:139120 name: carotenoid beta-end derivative namespace: chebi_ontology def: "Any carotenoid derivative with an beta-end group" [] subset: 2_STAR synonym: "a carotenoid beta-end derivative" RELATED [UniProt] xref: MetaCyc:Carotenoid-beta-end-group {source="SUBMITTER"} is_a: CHEBI:23044 ! carotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H27R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.418" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.21128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/*)/C)/C" xsd:string [Term] id: CHEBI:13941 name: carbamate namespace: chebi_ontology subset: 3_STAR synonym: "Carbamat" RELATED [ChEBI] synonym: "carbamate" EXACT [UniProt] synonym: "carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "carbamate ion" RELATED [ChemIDplus] synonym: "carbamic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Karbamat" RELATED [ChEBI] xref: Beilstein:3903503 {source="Beilstein"} xref: CAS:302-11-4 {source="ChemIDplus"} xref: Gmelin:239604 {source="Gmelin"} is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDHJXZQYSOELW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.03212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.00910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([O-])=O" xsd:string [Term] id: CHEBI:139588 name: alpha-hydroxy ketone namespace: chebi_ontology def: "An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety." [] subset: 3_STAR synonym: "alpha-hydroxy ketones" RELATED [ChEBI] synonym: "alpha-hydroxy-ketone" RELATED [ChEBI] synonym: "alpha-hydroxy-ketones" RELATED [ChEBI] synonym: "alpha-hydroxyketone" RELATED [ChEBI] synonym: "alpha-hydroxyketones" RELATED [ChEBI] xref: PMID:15326516 {source="Europe PMC"} xref: PMID:19908854 {source="Europe PMC"} xref: PMID:20382022 {source="Europe PMC"} xref: PMID:23295224 {source="Europe PMC"} is_a: CHEBI:30879 ! alcohol is_a: CHEBI:52396 ! alpha-oxyketone [Term] id: CHEBI:139592 name: tertiary alpha-hydroxy ketone namespace: chebi_ontology def: "An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups." [] subset: 3_STAR synonym: "tertiary alpha-hydroxy ketones" RELATED [ChEBI] synonym: "tertiary alpha-hydroxy-ketone" RELATED [ChEBI] synonym: "tertiary alpha-hydroxy-ketones" RELATED [ChEBI] synonym: "tertiary alpha-hydroxyketone" RELATED [ChEBI] synonym: "tertiary alpha-hydroxyketones" RELATED [ChEBI] is_a: CHEBI:139588 ! alpha-hydroxy ketone is_a: CHEBI:26878 ! tertiary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)*)(O)(*)*" xsd:string [Term] id: CHEBI:140601 name: fatty acid 4:0 namespace: chebi_ontology def: "Any saturated fatty acid containing 4 carbons." [] subset: 3_STAR is_a: CHEBI:26666 ! short-chain fatty acid relationship: is_conjugate_acid_of CHEBI:78115 ! fatty acid anion 4:0 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(O)=O" xsd:string [Term] id: CHEBI:140785 name: R-cob(III)alamin namespace: chebi_ontology subset: 2_STAR synonym: "an R-cob(III)alamin" RELATED [UniProt] xref: MetaCyc:CPD-20938 {source="SUBMITTER"} is_a: CHEBI:23333 ! cob(III)alamins property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C62H88CoN13O14PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1329.350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1328.56433" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Co-3]1234(N5C6=C(C7=[N+]4C(=CC8=[N+]3C(=C(C9=[N+]2[C@@]([C@]5([C@@H]([C@@]6(C)CCC(=O)NC[C@H](OP(O[C@@H]%10[C@H](O[C@H](N%11C=[N+]1C%12=CC(=C(C=C%12%11)C)C)[C@@H]%10O)CO)(=O)[O-])C)CC(=O)N)[H])([C@]([C@@H]9CCC(N)=O)(CC(=O)N)C)C)C)[C@](C)([C@@H]8CCC(=O)N)CC(N)=O)C([C@@H]7CCC(=O)N)(C)C)C)*" xsd:string [Term] id: CHEBI:142163 name: 24G7 epitope namespace: chebi_ontology def: "An antigenic epitope recognized by an anti-bilirubin monoclonal antibody designated 24G7. A substructure of bilirubin IXalpha, it is the region containing the oxo group at C-1, the methyl group at C-2, C-(4, 5, 6, 9), and N-21 and -22." [] subset: 3_STAR is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24433 ! group relationship: RO:0000087 CHEBI:53000 ! has role epitope property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.04801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=CC(NC(=*)*)=*)(NC(C(C)=*)=O)*" xsd:string [Term] id: CHEBI:142839 name: enolate namespace: chebi_ontology def: "An organic anion arising from deprotonation of the hydroxy group of an enol." [] subset: 3_STAR synonym: "enolate anion" RELATED [ChEBI] synonym: "enolate anions" RELATED [ChEBI] synonym: "enolates" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:33823 ! enol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2OR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=C(*)*)*" xsd:string [Term] id: CHEBI:14321 name: glutamate(1-) namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "2-ammoniopentanedioate" RELATED [IUPAC] synonym: "glutamate" RELATED [UniProt] synonym: "glutamate(1-)" EXACT [JCBN] synonym: "glutamic acid monoanion" RELATED [JCBN] synonym: "hydrogen glutamate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:327908 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_acid_of CHEBI:29987 ! glutamate(2-) relationship: is_conjugate_base_of CHEBI:18237 ! glutamic acid relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:144644 name: a tetracycline zwitterion namespace: chebi_ontology subset: 2_STAR synonym: "a tetracycline" RELATED [UniProt] is_a: CHEBI:26895 ! tetracyclines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H17N2O7R5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "409.10358" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C(C=C(C(=C1C(C=3[C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3O)=O)C(N)=O)[NH+](C)C)[H])*)(C2(*)*)[H])=O)O)*)*" xsd:string [Term] id: CHEBI:145947 name: antiatherosclerotic agent namespace: chebi_ontology def: "A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent." [] subset: 3_STAR synonym: "anti-atherosclerotic agent" RELATED [ChEBI] synonym: "anti-atherosclerotic agents" RELATED [ChEBI] synonym: "anti-atherosclerotic drug" RELATED [ChEBI] synonym: "anti-atherosclerotic drugs" RELATED [ChEBI] synonym: "antiatherosclerotic agent" EXACT [ChEBI] synonym: "antiatherosclerotic agents" RELATED [ChEBI] synonym: "antiatherosclerotic drug" RELATED [ChEBI] synonym: "antiatherosclerotic drugs" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:147289 name: EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor namespace: chebi_ontology def: "Any EC 3.4.17.* (metallocarboxypeptidase) inhibitor that inhibits the action of angiotensin-converting enzyme 2 (EC 3.4.17.23)." [] subset: 3_STAR synonym: "ACE-2 inhibitor" RELATED [ChEBI] synonym: "ACE-2 inhibitors" RELATED [ChEBI] synonym: "ACE2 inhibitor" RELATED [ChEBI] synonym: "ACE2 inhibitors" RELATED [ChEBI] synonym: "angiotensin converting enzyme 2 inhibitor" RELATED [ChEBI] synonym: "angiotensin converting enzyme 2 inhibitors" RELATED [ChEBI] synonym: "angiotensin converting enzyme-2 inhibitor" RELATED [ChEBI] synonym: "angiotensin converting enzyme-2 inhibitors" RELATED [ChEBI] synonym: "angiotensin-converting enzyme 2 inhibitor" RELATED [ChEBI] synonym: "angiotensin-converting enzyme 2 inhibitors" RELATED [ChEBI] synonym: "EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor" EXACT [ChEBI] synonym: "EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.17.23 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.17.23 inhibitors" RELATED [ChEBI] synonym: "hACE2 inhibitor" RELATED [ChEBI] synonym: "hACE2 inhibitors" RELATED [ChEBI] xref: Wikipedia:Angiotensin-converting_enzyme_2 is_a: CHEBI:147290 ! EC 3.4.17* (metallocarboxypeptidase) inhibitor [Term] id: CHEBI:147290 name: EC 3.4.17* (metallocarboxypeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the action of a metallocarboxypeptidase (EC 3.4.17.*)." [] subset: 3_STAR synonym: "EC 3.4.17* (metallocarboxypeptidase) inhibitor" EXACT [ChEBI] synonym: "EC 3.4.17* (metallocarboxypeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.17.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.17.* inhibitors" RELATED [ChEBI] synonym: "metallocarboxypeptidase inhibitor" RELATED [ChEBI] synonym: "metallocarboxypeptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:149552 name: emetic namespace: chebi_ontology def: "Any agent that induces nausea and vomiting." [] subset: 3_STAR synonym: "emetics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:15339 name: acceptor namespace: chebi_ontology alt_id: CHEBI:13699 alt_id: CHEBI:2377 def: "A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity." [] subset: 3_STAR synonym: "A" RELATED [KEGG_COMPOUND] synonym: "accepteur" RELATED [ChEBI] synonym: "Acceptor" EXACT [KEGG_COMPOUND] synonym: "Akzeptor" RELATED [ChEBI] synonym: "Hydrogen-acceptor" RELATED [KEGG_COMPOUND] synonym: "Oxidized donor" RELATED [KEGG_COMPOUND] xref: KEGG:C00028 xref: KEGG:C16722 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:15354 name: choline namespace: chebi_ontology alt_id: CHEBI:13985 alt_id: CHEBI:23212 alt_id: CHEBI:3665 alt_id: CHEBI:41524 def: "A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function." [] subset: 3_STAR synonym: "2-hydroxy-N,N,N-trimethylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "Bilineurine" RELATED [KEGG_COMPOUND] synonym: "Choline" EXACT [KEGG_COMPOUND] synonym: "choline" EXACT [UniProt] synonym: "CHOLINE ION" RELATED [PDBeChem] synonym: "N,N,N-trimethylethanol-ammonium" RELATED [ChEBI] synonym: "N-trimethylethanolamine" RELATED [ChEBI] synonym: "trimethylethanolamine" RELATED [ChEBI] xref: Beilstein:1736748 {source="Beilstein"} xref: CAS:62-49-7 {source="ChemIDplus"} xref: CAS:62-49-7 {source="KEGG COMPOUND"} xref: Drug_Central:3097 {source="DrugCentral"} xref: DrugBank:DB00122 xref: ECMDB:ECMDB00097 xref: Gmelin:324597 {source="Gmelin"} xref: HMDB:HMDB0000097 xref: KEGG:C00114 xref: KEGG:D07690 xref: KNApSAcK:C00007298 xref: MetaCyc:CHOLINE xref: PDBeChem:CHT xref: PMID:10930630 {source="Europe PMC"} xref: PMID:12826235 {source="Europe PMC"} xref: PMID:12946691 {source="Europe PMC"} xref: PMID:14972364 {source="Europe PMC"} xref: PMID:16210714 {source="Europe PMC"} xref: PMID:17087106 {source="Europe PMC"} xref: PMID:17283071 {source="Europe PMC"} xref: PMID:17344490 {source="Europe PMC"} xref: PMID:18204095 {source="Europe PMC"} xref: PMID:18230680 {source="Europe PMC"} xref: PMID:18786517 {source="Europe PMC"} xref: PMID:18786520 {source="Europe PMC"} xref: PMID:19246089 {source="Europe PMC"} xref: PMID:20038853 {source="Europe PMC"} xref: PMID:20446114 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:22961562 {source="Europe PMC"} xref: PMID:23095202 {source="Europe PMC"} xref: PMID:23616508 {source="Europe PMC"} xref: PMID:23637565 {source="Europe PMC"} xref: PMID:23733158 {source="Europe PMC"} xref: PMID:6420466 {source="Europe PMC"} xref: PMID:7590654 {source="Europe PMC"} xref: PMID:9517478 {source="Europe PMC"} xref: Reaxys:1736748 {source="Reaxys"} xref: Wikipedia:Choline xref: YMDB:YMDB00227 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:23217 ! cholines relationship: RO:0000087 CHEBI:25512 ! has role neurotransmitter relationship: RO:0000087 CHEBI:33284 ! has role nutrient relationship: RO:0000087 CHEBI:50904 ! has role allergen relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H14NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OEYIOHPDSNJKLS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.17080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.10699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCO" xsd:string [Term] id: CHEBI:15356 name: cysteine namespace: chebi_ontology alt_id: CHEBI:14061 alt_id: CHEBI:23508 alt_id: CHEBI:4050 def: "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3." [] subset: 3_STAR synonym: "2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "C" RELATED [ChEBI] synonym: "cisteina" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "Cystein" RELATED [ChEBI] synonym: "Cysteine" EXACT [KEGG_COMPOUND] synonym: "cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine" EXACT [ChEBI] synonym: "Hcys" RELATED [IUPAC] synonym: "Zystein" RELATED [ChEBI] xref: Beilstein:1721406 {source="Beilstein"} xref: CAS:3374-22-9 {source="ChemIDplus"} xref: CAS:3374-22-9 {source="NIST Chemistry WebBook"} xref: CAS:3374-22-9 {source="KEGG COMPOUND"} xref: Gmelin:2933 {source="Gmelin"} xref: KEGG:C00736 xref: KNApSAcK:C00001351 xref: KNApSAcK:C00007323 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:25181601 {source="Europe PMC"} xref: Reaxys:1721406 {source="Reaxys"} xref: Wikipedia:Cysteine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50326 ! sulfanylmethyl group relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:35237 ! cysteine zwitterion relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C(O)=O" xsd:string [Term] id: CHEBI:15361 name: pyruvate namespace: chebi_ontology alt_id: CHEBI:14987 alt_id: CHEBI:26462 def: "A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-oxopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropanoate" RELATED [ChEBI] synonym: "2-oxopropanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "pyruvate" EXACT [UniProt] xref: Beilstein:3587721 {source="Beilstein"} xref: CAS:57-60-3 {source="ChemIDplus"} xref: Gmelin:2502 {source="Gmelin"} xref: KEGG:C00022 xref: PMID:17190852 {source="Europe PMC"} xref: PMID:21603897 {source="Europe PMC"} xref: PMID:21823181 {source="Europe PMC"} xref: PMID:21854850 {source="Europe PMC"} xref: PMID:22006570 {source="Europe PMC"} xref: PMID:22016370 {source="Europe PMC"} xref: PMID:22215378 {source="Europe PMC"} xref: PMID:22311625 {source="Europe PMC"} xref: PMID:22451307 {source="Europe PMC"} xref: PMID:22458763 {source="Europe PMC"} xref: Reaxys:3587721 {source="Reaxys"} xref: UM-BBD_compID:c0159 {source="UM-BBD"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion relationship: has_functional_parent CHEBI:17272 ! propionate relationship: is_conjugate_base_of CHEBI:32816 ! pyruvic acid relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCTONWCANYUPML-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.05412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.00877" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)C([O-])=O" xsd:string [Term] id: CHEBI:15366 name: acetic acid namespace: chebi_ontology alt_id: CHEBI:22169 alt_id: CHEBI:2387 alt_id: CHEBI:40486 def: "A simple monocarboxylic acid containing two carbons." [] subset: 3_STAR synonym: "ACETIC ACID" EXACT [PDBeChem] synonym: "Acetic acid" EXACT [KEGG_COMPOUND] synonym: "acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide acetique" RELATED [ChemIDplus] synonym: "AcOH" RELATED [ChEBI] synonym: "CH3-COOH" RELATED [IUPAC] synonym: "CH3CO2H" RELATED [ChEBI] synonym: "E 260" RELATED [ChEBI] synonym: "E-260" RELATED [ChEBI] synonym: "E260" RELATED [ChEBI] synonym: "Essigsaeure" RELATED [ChEBI] synonym: "Ethanoic acid" RELATED [KEGG_COMPOUND] synonym: "ethoic acid" RELATED [ChEBI] synonym: "Ethylic acid" RELATED [ChemIDplus] synonym: "HOAc" RELATED [ChEBI] synonym: "INS No. 260" RELATED [ChEBI] synonym: "MeCO2H" RELATED [ChEBI] synonym: "MeCOOH" RELATED [ChEBI] synonym: "Methanecarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:506007 {source="Beilstein"} xref: CAS:64-19-7 {source="ChemIDplus"} xref: CAS:64-19-7 {source="NIST Chemistry WebBook"} xref: CAS:64-19-7 {source="KEGG COMPOUND"} xref: Drug_Central:4211 {source="DrugCentral"} xref: Gmelin:1380 {source="Gmelin"} xref: HMDB:HMDB0000042 xref: KEGG:C00033 xref: KEGG:D00010 xref: KNApSAcK:C00001176 xref: LIPID_MAPS_instance:LMFA01010002 {source="LIPID MAPS"} xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PDBeChem:ACY xref: PMID:12005138 {source="Europe PMC"} xref: PMID:15107950 {source="Europe PMC"} xref: PMID:16630552 {source="Europe PMC"} xref: PMID:16774200 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:19416101 {source="Europe PMC"} xref: PMID:19469536 {source="Europe PMC"} xref: PMID:22153255 {source="Europe PMC"} xref: PMID:22173419 {source="Europe PMC"} xref: PPDB:1333 xref: Reaxys:506007 {source="Reaxys"} xref: Wikipedia:Acetic_acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:30089 ! acetate relationship: RO:0000087 CHEBI:48356 ! has role protic solvent relationship: RO:0000087 CHEBI:64049 ! has role food acidity regulator relationship: RO:0000087 CHEBI:65256 ! has role antimicrobial food preservative relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)=O" xsd:string [Term] id: CHEBI:15414 name: S-adenosyl-L-methionine namespace: chebi_ontology alt_id: CHEBI:10786 alt_id: CHEBI:10833 alt_id: CHEBI:12742 alt_id: CHEBI:12757 alt_id: CHEBI:12760 alt_id: CHEBI:22036 alt_id: CHEBI:45607 alt_id: CHEBI:527887 alt_id: CHEBI:8946 def: "A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine." [] subset: 3_STAR synonym: "(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt" RELATED [ChemIDplus] synonym: "[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium" EXACT IUPAC_NAME [IUPAC] synonym: "[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium" RELATED [IUPAC] synonym: "Acylcarnitine" RELATED [KEGG_COMPOUND] synonym: "AdoMet" RELATED [JCBN] synonym: "S-(5'-deoxyadenosin-5'-yl)-L-methionine" RELATED [JCBN] synonym: "S-Adenosyl-L-methionine" EXACT [KEGG_COMPOUND] synonym: "S-adenosyl-L-methionine" EXACT [ChEBI] synonym: "S-Adenosylmethionine" RELATED [KEGG_COMPOUND] synonym: "S-adenosylmethionine" RELATED [ChEBI] synonym: "SAM" RELATED [JCBN] synonym: "SAMe" RELATED [ChemIDplus] xref: Beilstein:3576439 {source="Beilstein"} xref: CAS:29908-03-0 {source="KEGG COMPOUND"} xref: CAS:29908-03-0 {source="ChemIDplus"} xref: COMe:MOL000172 xref: DrugBank:DB00118 xref: HMDB:HMDB0001185 xref: KEGG:C00019 xref: KNApSAcK:C00007347 xref: MetaCyc:S-ADENOSYLMETHIONINE xref: PMID:11017945 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: Reaxys:3919754 {source="Reaxys"} xref: Wikipedia:S-Adenosyl_methionine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26830 ! sulfonium compound relationship: is_conjugate_acid_of CHEBI:67040 ! S-adenosyl-L-methioninate relationship: is_enantiomer_of CHEBI:156255 ! S-adenosyl-D-methionine relationship: is_tautomer_of CHEBI:59789 ! S-adenosyl-L-methionine zwitterion relationship: RO:0000087 CHEBI:131604 ! has role Mycoplasma genitalium metabolite relationship: RO:0000087 CHEBI:23354 ! has role coenzyme relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H23N6O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEFKEPWMEQBLKI-AIRLBKTGSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "399.44500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.14452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" xsd:string [Term] id: CHEBI:15428 name: glycine namespace: chebi_ontology alt_id: CHEBI:10792 alt_id: CHEBI:14344 alt_id: CHEBI:24368 alt_id: CHEBI:42964 alt_id: CHEBI:5460 def: "The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain." [] subset: 3_STAR synonym: "Aminoacetic acid" RELATED [KEGG_COMPOUND] synonym: "aminoacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Aminoessigsaeure" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [JCBN] synonym: "G" RELATED [ChEBI] synonym: "Gly" RELATED [KEGG_COMPOUND] synonym: "Glycin" RELATED [ChemIDplus] synonym: "GLYCINE" EXACT [PDBeChem] synonym: "Glycine" EXACT [KEGG_COMPOUND] synonym: "glycine" EXACT IUPAC_NAME [IUPAC] synonym: "Glycocoll" RELATED [ChemIDplus] synonym: "Glykokoll" RELATED [ChEBI] synonym: "Glyzin" RELATED [ChEBI] synonym: "H2N-CH2-COOH" RELATED [IUPAC] synonym: "Hgly" RELATED [IUPAC] synonym: "Leimzucker" RELATED [ChemIDplus] xref: Beilstein:635782 {source="Beilstein"} xref: CAS:56-40-6 {source="NIST Chemistry WebBook"} xref: CAS:56-40-6 {source="ChemIDplus"} xref: CAS:56-40-6 {source="KEGG COMPOUND"} xref: Drug_Central:1319 {source="DrugCentral"} xref: DrugBank:DB00145 xref: ECMDB:ECMDB00123 xref: Gmelin:1808 {source="Gmelin"} xref: HMDB:HMDB0000123 xref: KEGG:C00037 xref: KEGG:D00011 xref: KNApSAcK:C00001361 xref: MetaCyc:GLY xref: PDBeChem:GLY xref: PMID:10930630 {source="Europe PMC"} xref: PMID:11019925 {source="Europe PMC"} xref: PMID:11174716 {source="Europe PMC"} xref: PMID:11542461 {source="Europe PMC"} xref: PMID:11806864 {source="Europe PMC"} xref: PMID:12631515 {source="Europe PMC"} xref: PMID:12754315 {source="Europe PMC"} xref: PMID:12770151 {source="Europe PMC"} xref: PMID:12921899 {source="Europe PMC"} xref: PMID:15331688 {source="Europe PMC"} xref: PMID:15388434 {source="Europe PMC"} xref: PMID:15710237 {source="Europe PMC"} xref: PMID:16105183 {source="Europe PMC"} xref: PMID:16151895 {source="Europe PMC"} xref: PMID:16214212 {source="Europe PMC"} xref: PMID:16417482 {source="Europe PMC"} xref: PMID:16444815 {source="Europe PMC"} xref: PMID:16664855 {source="Europe PMC"} xref: PMID:16901953 {source="Europe PMC"} xref: PMID:16918424 {source="Europe PMC"} xref: PMID:16986325 {source="Europe PMC"} xref: PMID:16998855 {source="Europe PMC"} xref: PMID:17154252 {source="Europe PMC"} xref: PMID:17383967 {source="Europe PMC"} xref: PMID:17582620 {source="Europe PMC"} xref: PMID:17970719 {source="Europe PMC"} xref: PMID:18079355 {source="Europe PMC"} xref: PMID:18396796 {source="Europe PMC"} xref: PMID:18440992 {source="Europe PMC"} xref: PMID:18593588 {source="Europe PMC"} xref: PMID:18816054 {source="Europe PMC"} xref: PMID:18840508 {source="Europe PMC"} xref: PMID:19028609 {source="Europe PMC"} xref: PMID:19120667 {source="Europe PMC"} xref: PMID:19449910 {source="Europe PMC"} xref: PMID:19526731 {source="Europe PMC"} xref: PMID:19544666 {source="Europe PMC"} xref: PMID:19738917 {source="Europe PMC"} xref: PMID:19916621 {source="Europe PMC"} xref: PMID:19924257 {source="Europe PMC"} xref: PMID:21751272 {source="Europe PMC"} xref: PMID:22044190 {source="Europe PMC"} xref: PMID:22079563 {source="Europe PMC"} xref: PMID:22234938 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22293292 {source="Europe PMC"} xref: PMID:22401276 {source="Europe PMC"} xref: PMID:22434786 {source="Europe PMC"} xref: Reaxys:635782 {source="Reaxys"} xref: Wikipedia:Glycine xref: YMDB:YMDB00016 is_a: CHEBI:26650 ! serine family amino acid relationship: is_conjugate_acid_of CHEBI:32508 ! glycinate relationship: is_conjugate_base_of CHEBI:32507 ! glycinium relationship: is_tautomer_of CHEBI:57305 ! glycine zwitterion relationship: RO:0000087 CHEBI:25512 ! has role neurotransmitter relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical relationship: RO:0000087 CHEBI:62868 ! has role hepatoprotective agent relationship: RO:0000087 CHEBI:64570 ! has role EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor relationship: RO:0000087 CHEBI:64571 ! has role NMDA receptor agonist relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(O)=O" xsd:string [Term] id: CHEBI:15440 name: squalene namespace: chebi_ontology alt_id: CHEBI:10795 alt_id: CHEBI:10843 alt_id: CHEBI:15104 alt_id: CHEBI:26746 alt_id: CHEBI:9245 def: "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." [] subset: 3_STAR synonym: "(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene" EXACT IUPAC_NAME [IUPAC] synonym: "(all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene" RELATED [NIST_Chemistry_WebBook] synonym: "Spinacene" RELATED [KEGG_COMPOUND] synonym: "Squalene" EXACT [KEGG_COMPOUND] synonym: "squalene" EXACT [UniProt] synonym: "Supraene" RELATED [KEGG_COMPOUND] xref: Beilstein:1728920 {source="Beilstein"} xref: CAS:111-02-4 {source="KEGG COMPOUND"} xref: CAS:111-02-4 {source="ChemIDplus"} xref: CAS:111-02-4 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0000256 xref: KEGG:C00751 xref: KNApSAcK:C00003755 xref: LIPID_MAPS_instance:LMPR0106010002 {source="LIPID MAPS"} xref: MetaCyc:SQUALENE xref: PDBeChem:SQL xref: PMID:16341241 {source="Europe PMC"} xref: PMID:23625688 {source="Europe PMC"} xref: PMID:24362891 {source="Europe PMC"} xref: PMID:25286851 {source="Europe PMC"} xref: PMID:25286853 {source="Europe PMC"} xref: PMID:25987292 {source="Europe PMC"} xref: Wikipedia:Squalene is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35191 ! triterpene relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H50" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YYGNTYWPHWGJRM-AAJYLUCBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.39125" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C=C(/C)CC\\C=C(/C)CCC=C(C)C" xsd:string [Term] id: CHEBI:156255 name: S-adenosyl-D-methionine namespace: chebi_ontology subset: 2_STAR is_a: CHEBI:26830 ! sulfonium compound relationship: is_enantiomer_of CHEBI:15414 ! S-adenosyl-L-methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H23N6O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8-,10-,11-,14-,27?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEFKEPWMEQBLKI-XCPQSEKJSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "399.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.14452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S+](C[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1O)(CC[C@@H](N)C(O)=O)C" xsd:string [Term] id: CHEBI:15693 name: aldose namespace: chebi_ontology alt_id: CHEBI:13755 alt_id: CHEBI:22305 alt_id: CHEBI:2561 def: "Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals." [] subset: 3_STAR synonym: "Aldose" EXACT [KEGG_COMPOUND] synonym: "aldoses" RELATED [ChEBI] synonym: "an aldose" RELATED [UniProt] xref: KEGG:C01370 xref: Wikipedia:Aldose is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2(CH2O)n" xsd:string [Term] id: CHEBI:15705 name: L-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:13072 alt_id: CHEBI:13243 alt_id: CHEBI:13797 alt_id: CHEBI:21224 alt_id: CHEBI:6175 def: "Any alpha-amino acid having L-configuration at the alpha-carbon." [] subset: 3_STAR synonym: "L-2-Amino acid" RELATED [KEGG_COMPOUND] synonym: "L-alpha-amino acid" EXACT [IUPAC] synonym: "L-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "L-alpha-amino acids" RELATED [ChEBI] synonym: "L-Amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C00151 is_a: CHEBI:33704 ! alpha-amino acid relationship: is_conjugate_acid_of CHEBI:59814 ! L-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59869 ! L-alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H]([*])C(O)=O" xsd:string [Term] id: CHEBI:15724 name: trimethylamine N-oxide namespace: chebi_ontology alt_id: CHEBI:15262 alt_id: CHEBI:15263 alt_id: CHEBI:27126 alt_id: CHEBI:9733 def: "A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine." [] subset: 3_STAR synonym: "(CH3)3NO" RELATED [IUPAC] synonym: "Me3N(+)O(-)" RELATED [ChEBI] synonym: "Me3N(O)" RELATED [ChEBI] synonym: "N(CH3)3O" RELATED [ChEBI] synonym: "N,N-dimethylmethanamine oxide" EXACT IUPAC_NAME [IUPAC] synonym: "TMAO" RELATED [NIST_Chemistry_WebBook] synonym: "Trimethylamine N-oxide" EXACT [KEGG_COMPOUND] synonym: "trimethylamine N-oxide" EXACT [UniProt] synonym: "trimethylamine oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Trimethylaminoxid" RELATED [ChEBI] synonym: "trimethyloxamine" RELATED [ChemIDplus] xref: Beilstein:1734787 {source="Beilstein"} xref: CAS:1184-78-7 {source="KEGG COMPOUND"} xref: CAS:1184-78-7 {source="NIST Chemistry WebBook"} xref: CAS:1184-78-7 {source="ChemIDplus"} xref: Gmelin:1839 {source="Gmelin"} xref: HMDB:HMDB0000925 xref: KEGG:C01104 xref: MetaCyc:TRIMENTHLAMINE-N-O xref: PDBeChem:TMO xref: PMID:12683801 {source="Europe PMC"} xref: PMID:1453985 {source="Europe PMC"} xref: PMID:17697669 {source="Europe PMC"} xref: PMID:19425246 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:3170512 {source="Europe PMC"} xref: PMID:3674879 {source="Europe PMC"} xref: Reaxys:1734787 {source="Reaxys"} xref: Wikipedia:Trimethylamine_oxide is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134363 ! tertiary amine oxide relationship: has_functional_parent CHEBI:18139 ! trimethylamine relationship: is_conjugate_base_of CHEBI:166856 ! hydroxytrimethylaminium relationship: RO:0000087 CHEBI:25728 ! has role osmolyte relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UYPYRKYUKCHHIB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.06841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)([O-])C" xsd:string [Term] id: CHEBI:15734 name: primary alcohol namespace: chebi_ontology alt_id: CHEBI:13676 alt_id: CHEBI:14887 alt_id: CHEBI:26262 alt_id: CHEBI:57489 alt_id: CHEBI:8406 def: "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." [] subset: 3_STAR synonym: "1-Alcohol" RELATED [KEGG_COMPOUND] synonym: "a primary alcohol" RELATED [UniProt] synonym: "Primary alcohol" EXACT [KEGG_COMPOUND] synonym: "primary alcohols" RELATED [ChEBI] xref: KEGG:C00226 is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(O)([H])[H]" xsd:string [Term] id: CHEBI:15740 name: formate namespace: chebi_ontology alt_id: CHEBI:14276 alt_id: CHEBI:24081 def: "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects." [] subset: 3_STAR synonym: "aminate" RELATED [ChEBI] synonym: "formate" EXACT IUPAC_NAME [IUPAC] synonym: "formate" EXACT [UniProt] synonym: "formiate" RELATED [ChEBI] synonym: "formic acid, ion(1-)" RELATED [ChemIDplus] synonym: "formylate" RELATED [ChEBI] synonym: "HCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylate" RELATED [ChEBI] synonym: "methanoate" RELATED [ChEBI] xref: Beilstein:1901205 {source="Beilstein"} xref: CAS:71-47-6 {source="ChemIDplus"} xref: CAS:71-47-6 {source="NIST Chemistry WebBook"} xref: Gmelin:1006 {source="Gmelin"} xref: HMDB:HMDB0000142 xref: KEGG:C00058 xref: MetaCyc:FORMATE xref: PMID:17190852 {source="Europe PMC"} xref: PMID:3946945 {source="Europe PMC"} xref: Reaxys:1901205 {source="Reaxys"} xref: UM-BBD_compID:c0106 {source="UM-BBD"} xref: Wikipedia:Formate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:30751 ! formic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([O-])=O" xsd:string [Term] id: CHEBI:15756 name: hexadecanoic acid namespace: chebi_ontology alt_id: CHEBI:14730 alt_id: CHEBI:233028 alt_id: CHEBI:24540 alt_id: CHEBI:24541 alt_id: CHEBI:24542 alt_id: CHEBI:24550 alt_id: CHEBI:29889 alt_id: CHEBI:35978 alt_id: CHEBI:44952 def: "A straight-chain, sixteen-carbon, saturated long-chain fatty acid." [] subset: 3_STAR synonym: "1-hexyldecanoic acid" RELATED [HMDB] synonym: "1-Pentadecanecarboxylic acid" RELATED [ChemIDplus] synonym: "16:00" RELATED [ChEBI] synonym: "C16" RELATED [ChEBI] synonym: "C16 fatty acid" RELATED [HMDB] synonym: "C16:0" RELATED [LIPID_MAPS] synonym: "cetylic acid" RELATED [KEGG_COMPOUND] synonym: "CH3-[CH2]14-COOH" RELATED [IUPAC] synonym: "FA 16:0" RELATED [ChEBI] synonym: "Hexadecanoate" RELATED [KEGG_COMPOUND] synonym: "hexadecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hexadecoic acid" RELATED [ChEBI] synonym: "Hexadecylic acid" RELATED [HMDB] synonym: "Hexadecylic acid" RELATED [KEGG_COMPOUND] synonym: "Hexaectylic acid" RELATED [HMDB] synonym: "n-hexadecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-hexadecoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Palmitate" RELATED [KEGG_COMPOUND] synonym: "PALMITIC ACID" RELATED [PDBeChem] synonym: "Palmitic acid" RELATED [KEGG_COMPOUND] synonym: "palmitic acid" RELATED [ChEBI] synonym: "Palmitinic acid" RELATED [HMDB] synonym: "Palmitinsaeure" RELATED [ChEBI] synonym: "Pentadecanecarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:607489 {source="Beilstein"} xref: CAS:57-10-3 {source="NIST Chemistry WebBook"} xref: CAS:57-10-3 {source="ChemIDplus"} xref: CAS:57-10-3 {source="KEGG COMPOUND"} xref: DrugBank:DB03796 xref: Gmelin:190200 {source="Gmelin"} xref: HMDB:HMDB0000220 xref: KEGG:C00249 xref: KEGG:D05341 xref: KNApSAcK:C00001233 xref: KNApSAcK:C00030479 xref: LIPID_MAPS_instance:LMFA01010001 {source="LIPID MAPS"} xref: MetaCyc:PALMITATE xref: PDBeChem:PLM xref: PMID:12492626 {source="Europe PMC"} xref: PMID:15357969 {source="ChEMBL"} xref: PMID:1589452 {source="Europe PMC"} xref: PMID:16509590 {source="ChEMBL"} xref: PMID:16884313 {source="ChEMBL"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17502136 {source="ChEMBL"} xref: PMID:20001317 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:28600633 {source="Europe PMC"} xref: PPDB:1336 xref: Reaxys:607489 {source="Reaxys"} xref: Wikipedia:Palmitic_acid is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: is_conjugate_acid_of CHEBI:7896 ! hexadecanoate relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77119 ! has role EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IPCSVZSSVZVIGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.42410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:15778 name: N-acyl-D-amino acid namespace: chebi_ontology alt_id: CHEBI:12474 alt_id: CHEBI:21631 alt_id: CHEBI:7224 def: "Any N-acyl-amino acid in which the amino acid moiety has D configuration." [] subset: 3_STAR is_a: CHEBI:51569 ! N-acyl-amino acid is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: is_conjugate_acid_of CHEBI:59876 ! N-acyl-D-alpha-amino acid anion relationship: is_enantiomer_of CHEBI:21644 ! N-acyl-L-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.01129" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:15841 name: polypeptide namespace: chebi_ontology alt_id: CHEBI:14860 alt_id: CHEBI:8314 def: "A peptide containing ten or more amino acid residues." [] subset: 3_STAR synonym: "polipeptido" RELATED [ChEBI] synonym: "Polypeptid" RELATED [ChEBI] synonym: "Polypeptide" EXACT [KEGG_COMPOUND] synonym: "polypeptides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00403 is_a: CHEBI:16670 ! peptide is_a: CHEBI:33839 ! macromolecule property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6N2O3R2(C2H2NOR)n" xsd:string [Term] id: CHEBI:15852 name: aquacob(III)alamin namespace: chebi_ontology alt_id: CHEBI:13851 alt_id: CHEBI:22589 alt_id: CHEBI:2794 subset: 3_STAR synonym: "Aquacob(III)alamin" EXACT [KEGG_COMPOUND] synonym: "aquacob(III)alamin" EXACT [UniProt] synonym: "Aquacobalamin" RELATED [KEGG_COMPOUND] synonym: "aquacobalamin" RELATED [CBN] synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-aquacobamide" EXACT IUPAC_NAME [IUPAC] synonym: "H2OCbl" RELATED [ChEBI] synonym: "vitamin B-12a" RELATED [CBN] xref: CAS:13422-52-1 {source="ChemIDplus"} xref: CAS:13422-52-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003458 xref: KEGG:C00992 xref: MetaCyc:AQUACOBIIIALAMIN is_a: CHEBI:140785 ! R-cob(III)alamin relationship: is_conjugate_acid_of CHEBI:27786 ! hydroxocobalamin relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C62H90CoN13O15P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YOZNUFWCRFCGIH-WZHZPDAFSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1347.36310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1346.57434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][O+]([H])[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O" xsd:string [Term] id: CHEBI:15889 name: sterol namespace: chebi_ontology alt_id: CHEBI:13688 alt_id: CHEBI:15114 alt_id: CHEBI:26771 alt_id: CHEBI:9266 def: "Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain)." [] subset: 3_STAR synonym: "3-hydroxysteroids" RELATED [ChEBI] synonym: "a sterol" RELATED [UniProt] synonym: "Sterol" EXACT [KEGG_COMPOUND] synonym: "sterols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00370 xref: LIPID_MAPS_class:LMST01 {source="LIPID MAPS"} xref: MetaCyc:Sterols xref: Wikipedia:Sterol is_a: CHEBI:36834 ! 3-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C" xsd:string [Term] id: CHEBI:15904 name: long-chain fatty acid namespace: chebi_ontology alt_id: CHEBI:13655 alt_id: CHEBI:14529 alt_id: CHEBI:25075 alt_id: CHEBI:6528 def: "A fatty acid with a chain length ranging from C13 to C22." [] subset: 3_STAR synonym: "Higher fatty acid" RELATED [KEGG_COMPOUND] synonym: "LCFA" RELATED [ChEBI] synonym: "LCFAs" RELATED [ChEBI] synonym: "Long-chain fatty acid" EXACT [KEGG_COMPOUND] synonym: "long-chain fatty acids" RELATED [ChEBI] xref: KEGG:C00638 is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:57560 ! long-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:15940 name: nicotinic acid namespace: chebi_ontology alt_id: CHEBI:25538 alt_id: CHEBI:44319 alt_id: CHEBI:7559 def: "A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group." [] subset: 3_STAR synonym: "3-carboxylpyridine" RELATED [ChemIDplus] synonym: "3-carboxypyridine" RELATED [NIST_Chemistry_WebBook] synonym: "3-pyridinecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "3-Pyridylcarboxylic acid" RELATED [HMDB] synonym: "acide nicotinique" RELATED INN [WHO_MedNet] synonym: "acido nicotinico" RELATED INN [WHO_MedNet] synonym: "acidum nicotinicum" RELATED INN [WHO_MedNet] synonym: "anti-pellagra vitamin" RELATED [NIST_Chemistry_WebBook] synonym: "beta-pyridinecarboxylic acid" RELATED [ChEBI] synonym: "m-pyridinecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Niacin" RELATED [KEGG_COMPOUND] synonym: "Niacor" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Niaspan" RELATED BRAND_NAME [KEGG_DRUG] synonym: "NICOTINIC ACID" EXACT [PDBeChem] synonym: "Nicotinic acid" EXACT [KEGG_COMPOUND] synonym: "nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "nicotinic acid" RELATED INN [WHO_MedNet] synonym: "Nicotinsaure" RELATED [ChemIDplus] synonym: "Nikotinsaeure" RELATED [ChEBI] synonym: "P.P. factor" RELATED [NIST_Chemistry_WebBook] synonym: "pellagra preventive factor" RELATED [NIST_Chemistry_WebBook] synonym: "PP factor" RELATED [NIST_Chemistry_WebBook] synonym: "pyridine-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pyridine-beta-carboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "pyridine-carboxylique-3" RELATED [ChemIDplus] synonym: "vitamin B3" RELATED [ChEBI] xref: AGR:IND607088605 {source="Europe PMC"} xref: Beilstein:109591 {source="Beilstein"} xref: CAS:59-67-6 {source="KEGG COMPOUND"} xref: CAS:59-67-6 {source="ChemIDplus"} xref: CAS:59-67-6 {source="NIST Chemistry WebBook"} xref: Chemspider:913 xref: Drug_Central:2835 {source="DrugCentral"} xref: DrugBank:DB00627 xref: FooDB:FDB001014 xref: Gmelin:3340 {source="Gmelin"} xref: HMDB:HMDB0001488 xref: KEGG:C00253 xref: KEGG:D00049 xref: KNApSAcK:C00000208 xref: LINCS:LSM-4676 xref: MetaCyc:NIACINE xref: PDBeChem:NIO xref: PMID:10540864 {source="Europe PMC"} xref: PMID:113218 {source="Europe PMC"} xref: PMID:12563315 {source="Europe PMC"} xref: PMID:12789870 {source="Europe PMC"} xref: PMID:135660 {source="Europe PMC"} xref: PMID:14550884 {source="Europe PMC"} xref: PMID:15037193 {source="Europe PMC"} xref: PMID:15183629 {source="Europe PMC"} xref: PMID:15205990 {source="Europe PMC"} xref: PMID:15311728 {source="Europe PMC"} xref: PMID:15627518 {source="Europe PMC"} xref: PMID:15651982 {source="Europe PMC"} xref: PMID:16018787 {source="Europe PMC"} xref: PMID:16172771 {source="Europe PMC"} xref: PMID:16322787 {source="Europe PMC"} xref: PMID:16400392 {source="Europe PMC"} xref: PMID:16449845 {source="Europe PMC"} xref: PMID:16767301 {source="Europe PMC"} xref: PMID:16877271 {source="Europe PMC"} xref: PMID:16945375 {source="Europe PMC"} xref: PMID:18037924 {source="Europe PMC"} xref: PMID:182198 {source="Europe PMC"} xref: PMID:186078 {source="Europe PMC"} xref: PMID:18993152 {source="Europe PMC"} xref: PMID:18996527 {source="Europe PMC"} xref: PMID:19369827 {source="Europe PMC"} xref: PMID:19592242 {source="Europe PMC"} xref: PMID:19678716 {source="Europe PMC"} xref: PMID:19779335 {source="Europe PMC"} xref: PMID:20979384 {source="Europe PMC"} xref: PMID:21632263 {source="Europe PMC"} xref: PMID:22116693 {source="Europe PMC"} xref: PMID:22155410 {source="Europe PMC"} xref: PMID:22229411 {source="Europe PMC"} xref: PMID:22366213 {source="Europe PMC"} xref: PMID:22458880 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24029555 {source="Europe PMC"} xref: PMID:24568240 {source="Europe PMC"} xref: PMID:24675661 {source="Europe PMC"} xref: PMID:24848081 {source="Europe PMC"} xref: PMID:24975217 {source="Europe PMC"} xref: PMID:25040591 {source="Europe PMC"} xref: PMID:25241762 {source="Europe PMC"} xref: PMID:25429652 {source="Europe PMC"} xref: PMID:32954525 {source="Europe PMC"} xref: PMID:33273654 {source="Europe PMC"} xref: PMID:33932650 {source="Europe PMC"} xref: PMID:34066686 {source="Europe PMC"} xref: PMID:34085526 {source="Europe PMC"} xref: PMID:34117670 {source="Europe PMC"} xref: PMID:4033386 {source="Europe PMC"} xref: PMID:4259917 {source="Europe PMC"} xref: PMID:582105 {source="Europe PMC"} xref: PMID:699281 {source="Europe PMC"} xref: PMID:7217784 {source="Europe PMC"} xref: PMID:7581845 {source="Europe PMC"} xref: PMID:8306147 {source="Europe PMC"} xref: PMID:8423912 {source="Europe PMC"} xref: PMID:8679452 {source="Europe PMC"} xref: PMID:9107536 {source="Europe PMC"} xref: Reaxys:109591 {source="Reaxys"} xref: Wikipedia:Niacin is_a: CHEBI:176839 ! vitamin B3 is_a: CHEBI:26416 ! pyridine alkaloid is_a: CHEBI:26420 ! pyridinemonocarboxylic acid relationship: is_conjugate_acid_of CHEBI:32544 ! nicotinate relationship: RO:0000087 CHEBI:35620 ! has role vasodilator agent relationship: RO:0000087 CHEBI:35679 ! has role antilipemic drug relationship: RO:0000087 CHEBI:50247 ! has role antidote relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:84087 ! has role human urinary metabolite relationship: RO:0000087 CHEBI:84264 ! has role EC 3.5.1.19 (nicotinamidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVNIIMVLHYAWGP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.10944" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cccnc1" xsd:string [Term] id: CHEBI:15956 name: biotin namespace: chebi_ontology alt_id: CHEBI:13905 alt_id: CHEBI:22882 alt_id: CHEBI:22884 alt_id: CHEBI:3108 alt_id: CHEBI:41236 def: "An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins." [] subset: 3_STAR synonym: "(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid" RELATED [HMDB] synonym: "(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid" RELATED [HMDB] synonym: "5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid" RELATED [HMDB] synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "BIOTIN" EXACT [PDBeChem] synonym: "biotin" RELATED INN [WHO_MedNet] synonym: "biotina" RELATED INN [WHO_MedNet] synonym: "biotine" RELATED INN [WHO_MedNet] synonym: "biotinum" RELATED INN [WHO_MedNet] synonym: "cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid" RELATED [HMDB] synonym: "cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid" RELATED [HMDB] synonym: "cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid" RELATED [HMDB] synonym: "Coenzyme R" RELATED [KEGG_COMPOUND] synonym: "D-(+)-biotin" RELATED [NIST_Chemistry_WebBook] synonym: "D-Biotin" RELATED [KEGG_COMPOUND] synonym: "vitamin B7" RELATED [NIST_Chemistry_WebBook] synonym: "Vitamin H" RELATED [KEGG_COMPOUND] xref: Beilstein:86838 {source="Beilstein"} xref: CAS:58-85-5 {source="NIST Chemistry WebBook"} xref: CAS:58-85-5 {source="KEGG COMPOUND"} xref: CAS:58-85-5 {source="ChemIDplus"} xref: Chemspider:149962 xref: COMe:MOL000144 xref: Drug_Central:373 {source="DrugCentral"} xref: DrugBank:DB00121 xref: FooDB:FDB014510 xref: Gmelin:1918703 {source="Gmelin"} xref: HMDB:HMDB0000030 xref: KEGG:C00120 xref: KEGG:D00029 xref: KNApSAcK:C00000756 xref: LINCS:LSM-3994 xref: MetaCyc:BIOTIN xref: PDBeChem:BTN xref: PMCID:PMC8089577 {source="Europe PMC"} xref: PMID:10064317 {source="Europe PMC"} xref: PMID:10215065 {source="Europe PMC"} xref: PMID:10577274 {source="Europe PMC"} xref: PMID:11435506 {source="Europe PMC"} xref: PMID:11481419 {source="Europe PMC"} xref: PMID:11800048 {source="Europe PMC"} xref: PMID:12055344 {source="Europe PMC"} xref: PMID:12070309 {source="Europe PMC"} xref: PMID:12603856 {source="Europe PMC"} xref: PMID:12803839 {source="Europe PMC"} xref: PMID:15012185 {source="Europe PMC"} xref: PMID:15202718 {source="Europe PMC"} xref: PMID:15272000 {source="Europe PMC"} xref: PMID:15690449 {source="Europe PMC"} xref: PMID:15863846 {source="Europe PMC"} xref: PMID:15899401 {source="Europe PMC"} xref: PMID:15992684 {source="Europe PMC"} xref: PMID:16011464 {source="Europe PMC"} xref: PMID:16195795 {source="Europe PMC"} xref: PMID:16419467 {source="Europe PMC"} xref: PMID:16676358 {source="Europe PMC"} xref: PMID:16677798 {source="Europe PMC"} xref: PMID:16704206 {source="Europe PMC"} xref: PMID:16769720 {source="Europe PMC"} xref: PMID:17297119 {source="Europe PMC"} xref: PMID:1814646 {source="Europe PMC"} xref: PMID:18202531 {source="Europe PMC"} xref: PMID:18452485 {source="Europe PMC"} xref: PMID:18509457 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19319844 {source="Europe PMC"} xref: PMID:19727438 {source="Europe PMC"} xref: PMID:19928962 {source="Europe PMC"} xref: PMID:20967359 {source="Europe PMC"} xref: PMID:20974274 {source="Europe PMC"} xref: PMID:2100006 {source="Europe PMC"} xref: PMID:21248194 {source="Europe PMC"} xref: PMID:21356565 {source="Europe PMC"} xref: PMID:21373679 {source="Europe PMC"} xref: PMID:21596550 {source="Europe PMC"} xref: PMID:21871906 {source="Europe PMC"} xref: PMID:25515858 {source="Europe PMC"} xref: PMID:33346513 {source="Europe PMC"} xref: PMID:33461365 {source="Europe PMC"} xref: PMID:34077272 {source="Europe PMC"} xref: PMID:8333586 {source="Europe PMC"} xref: PMID:8750932 {source="Europe PMC"} xref: PMID:9022537 {source="Europe PMC"} xref: PMID:9038855 {source="Europe PMC"} xref: PMID:9094878 {source="Europe PMC"} xref: PMID:9164991 {source="Europe PMC"} xref: PMID:9176832 {source="Europe PMC"} xref: PMID:9371938 {source="Europe PMC"} xref: PMID:9416479 {source="Europe PMC"} xref: Reaxys:86838 {source="Reaxys"} xref: Wikipedia:Biotin is_a: CHEBI:176841 ! vitamin B7 is_a: CHEBI:51570 ! biotins relationship: is_conjugate_acid_of CHEBI:57586 ! biotinate relationship: RO:0000087 CHEBI:23354 ! has role coenzyme relationship: RO:0000087 CHEBI:26348 ! has role prosthetic group relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.31172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.08816" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2" xsd:string [Term] id: CHEBI:15966 name: D-glutamic acid namespace: chebi_ontology alt_id: CHEBI:21023 alt_id: CHEBI:4183 def: "An optically active form of glutamic acid having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-2-aminopentanedioic acid" RELATED [ChEBI] synonym: "D-2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "D-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutaminsaeure" RELATED [ChEBI] synonym: "DGL" RELATED [PDBeChem] synonym: "glutamic acid D-form" RELATED [ChemIDplus] xref: Beilstein:1723800 {source="Beilstein"} xref: CAS:6893-26-1 {source="NIST Chemistry WebBook"} xref: CAS:6893-26-1 {source="ChemIDplus"} xref: CAS:6893-26-1 {source="KEGG COMPOUND"} xref: DrugBank:DB02517 xref: Gmelin:201189 {source="Gmelin"} xref: HMDB:HMDB0003339 xref: KEGG:C00217 xref: KNApSAcK:C00019577 xref: MetaCyc:D-GLT xref: PDBeChem:DGL xref: Reaxys:1723800 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:18237 ! glutamic acid relationship: is_conjugate_acid_of CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:16015 ! L-glutamic acid relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:16015 name: L-glutamic acid namespace: chebi_ontology alt_id: CHEBI:21304 alt_id: CHEBI:42825 alt_id: CHEBI:6224 def: "An optically active form of glutamic acid having L-configuration." [] subset: 3_STAR synonym: "(2S)-2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-aminopentanedioic acid" RELATED [ChEBI] synonym: "(S)-glutamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "acide glutamique" RELATED INN [ChEBI] synonym: "acido glutamico" RELATED INN [ChEBI] synonym: "acidum glutamicum" RELATED INN [ChEBI] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "GLUTAMIC ACID" RELATED [PDBeChem] synonym: "glutamic acid" RELATED INN [ChEBI] synonym: "L-Glu" RELATED [ChEBI] synonym: "L-Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "L-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "L-Glutaminsaeure" RELATED [ChEBI] xref: Beilstein:1723801 {source="Beilstein"} xref: BPDB:2297 xref: CAS:56-86-0 {source="NIST Chemistry WebBook"} xref: CAS:56-86-0 {source="ChemIDplus"} xref: CAS:56-86-0 {source="KEGG COMPOUND"} xref: Drug_Central:1310 {source="DrugCentral"} xref: DrugBank:DB00142 xref: Gmelin:3502 {source="Gmelin"} xref: HMDB:HMDB0000148 xref: KEGG:C00025 xref: KEGG:D00007 xref: KNApSAcK:C00001358 xref: LINCS:LSM-36375 xref: MetaCyc:GLT xref: PDBeChem:GLU_LFOH xref: PMID:15739367 {source="Europe PMC"} xref: PMID:15930465 {source="Europe PMC"} xref: PMID:16719819 {source="Europe PMC"} xref: PMID:16892196 {source="Europe PMC"} xref: PMID:19581495 {source="Europe PMC"} xref: PMID:22219301 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:1723801 {source="Reaxys"} xref: Wikipedia:L-Glutamic_Acid is_a: CHEBI:18237 ! glutamic acid is_a: CHEBI:24318 ! glutamine family amino acid relationship: is_conjugate_acid_of CHEBI:29985 ! L-glutamate(1-) relationship: is_enantiomer_of CHEBI:15966 ! D-glutamic acid relationship: RO:0000087 CHEBI:173085 ! has role ferroptosis inducer relationship: RO:0000087 CHEBI:25512 ! has role neurotransmitter relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:16042 name: halide anion namespace: chebi_ontology alt_id: CHEBI:14384 alt_id: CHEBI:5605 def: "A monoatomic monoanion resulting from the addition of an electron to any halogen atom." [] subset: 3_STAR synonym: "a halide anion" RELATED [UniProt] synonym: "Halide" RELATED [KEGG_COMPOUND] synonym: "halide anions" RELATED [ChEBI] synonym: "halide ions" EXACT IUPAC_NAME [IUPAC] synonym: "halide(1-)" RELATED [ChEBI] synonym: "halides" RELATED [ChEBI] synonym: "halogen anion" RELATED [ChEBI] synonym: "HX" RELATED [KEGG_COMPOUND] xref: KEGG:C00462 is_a: CHEBI:33429 ! monoatomic monoanion is_a: CHEBI:79389 ! monovalent inorganic anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "X" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*-]" xsd:string [Term] id: CHEBI:16080 name: gamma-amino-beta-hydroxybutyric acid namespace: chebi_ontology alt_id: CHEBI:1780 alt_id: CHEBI:20311 def: "A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent." [] subset: 3_STAR synonym: "3-hydroxy-GABA" RELATED [ChemIDplus] synonym: "4-Amino-3-hydroxybutanoic acid" RELATED [KEGG_COMPOUND] synonym: "4-amino-3-hydroxybutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-3-hydroxybutyric acid" RELATED [ChemIDplus] synonym: "GABOB" RELATED [KEGG_COMPOUND] synonym: "gamma-Amino-beta-hydroxybutyric acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1721708 {source="Beilstein"} xref: Beilstein:1752568 {source="Beilstein"} xref: CAS:352-21-6 {source="KEGG COMPOUND"} xref: CAS:352-21-6 {source="ChemIDplus"} xref: Drug_Central:1263 {source="DrugCentral"} xref: KEGG:C03678 xref: KEGG:D00174 is_a: CHEBI:33707 ! gamma-amino acid is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: is_conjugate_acid_of CHEBI:11955 ! 4-amino-3-hydroxybutanoate relationship: is_tautomer_of CHEBI:57630 ! gamma-amino-beta-hydroxybutyric acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQGDEPYYFWUPGO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.11920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(O)CC(O)=O" xsd:string [Term] id: CHEBI:16113 name: cholesterol namespace: chebi_ontology alt_id: CHEBI:13982 alt_id: CHEBI:23204 alt_id: CHEBI:3659 alt_id: CHEBI:41564 def: "A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group." [] subset: 3_STAR synonym: "(3beta,14beta,17alpha)-cholest-5-en-3-ol" RELATED [IUPAC] synonym: "Cholest-5-en-3beta-ol" RELATED [KEGG_COMPOUND] synonym: "cholest-5-en-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Cholesterin" RELATED [NIST_Chemistry_WebBook] synonym: "CHOLESTEROL" EXACT [PDBeChem] synonym: "Cholesterol" EXACT [KEGG_COMPOUND] synonym: "cholesterol" EXACT [UniProt] xref: Beilstein:2060565 {source="Beilstein"} xref: CAS:57-88-5 {source="KEGG COMPOUND"} xref: CAS:57-88-5 {source="NIST Chemistry WebBook"} xref: CAS:57-88-5 {source="ChemIDplus"} xref: DrugBank:DB04540 xref: Gmelin:550297 {source="Gmelin"} xref: HMDB:HMDB0000067 xref: KEGG:C00187 xref: KEGG:D00040 xref: KNApSAcK:C00003648 xref: LIPID_MAPS_instance:LMST01010001 {source="LIPID MAPS"} xref: MetaCyc:CHOLESTEROL xref: PDBeChem:CLR xref: PMID:10901445 {source="Europe PMC"} xref: PMID:11412894 {source="Europe PMC"} xref: PMID:16341241 {source="Europe PMC"} xref: PMID:24287311 {source="Europe PMC"} xref: PMID:25308664 {source="Europe PMC"} xref: PMID:25451949 {source="Europe PMC"} xref: PMID:25522988 {source="Europe PMC"} xref: PMID:25658343 {source="Europe PMC"} xref: PMID:25977713 {source="Europe PMC"} xref: PMID:4696527 {source="Europe PMC"} xref: PMID:8838010 {source="Europe PMC"} xref: Reaxys:2060565 {source="Reaxys"} xref: Wikipedia:Cholesterol is_a: BFO:0000004 ! independent continuant is_a: CHEBI:131619 ! C27-steroid is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid is_a: CHEBI:35348 ! 3beta-sterol is_a: CHEBI:50401 ! cholestanoid relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83038 ! has role Daphnia galeata metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H46O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVYWMOMLDIMFJA-DPAQBDIFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "386.655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "386.35487" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C" xsd:string [Term] id: CHEBI:16134 name: ammonia namespace: chebi_ontology alt_id: CHEBI:13405 alt_id: CHEBI:13406 alt_id: CHEBI:13407 alt_id: CHEBI:13771 alt_id: CHEBI:22533 alt_id: CHEBI:44269 alt_id: CHEBI:44284 alt_id: CHEBI:44404 alt_id: CHEBI:7434 def: "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." [] subset: 3_STAR synonym: "[NH3]" RELATED [MolBase] synonym: "AMMONIA" EXACT [PDBeChem] synonym: "Ammonia" EXACT [KEGG_COMPOUND] synonym: "ammonia" EXACT IUPAC_NAME [IUPAC] synonym: "ammoniac" RELATED [ChEBI] synonym: "Ammoniak" RELATED [ChemIDplus] synonym: "amoniaco" RELATED [ChEBI] synonym: "azane" EXACT IUPAC_NAME [IUPAC] synonym: "NH3" RELATED [KEGG_COMPOUND] synonym: "NH3" RELATED [UniProt] synonym: "NH3" RELATED [IUPAC] synonym: "R-717" RELATED [ChEBI] synonym: "spirit of hartshorn" RELATED [ChemIDplus] xref: Beilstein:3587154 {source="Beilstein"} xref: CAS:7664-41-7 {source="ChemIDplus"} xref: CAS:7664-41-7 {source="NIST Chemistry WebBook"} xref: CAS:7664-41-7 {source="KEGG COMPOUND"} xref: Drug_Central:4625 {source="DrugCentral"} xref: Gmelin:79 {source="Gmelin"} xref: HMDB:HMDB0000051 xref: KEGG:C00014 xref: KEGG:D02916 xref: KNApSAcK:C00007267 xref: MetaCyc:AMMONIA xref: MolBase:930 xref: PDBeChem:NH3 xref: PMID:110589 {source="Europe PMC"} xref: PMID:11139349 {source="Europe PMC"} xref: PMID:11540049 {source="Europe PMC"} xref: PMID:11746427 {source="Europe PMC"} xref: PMID:11783653 {source="Europe PMC"} xref: PMID:13753780 {source="Europe PMC"} xref: PMID:14663195 {source="Europe PMC"} xref: PMID:15092448 {source="Europe PMC"} xref: PMID:15094021 {source="Europe PMC"} xref: PMID:15554424 {source="Europe PMC"} xref: PMID:15969015 {source="Europe PMC"} xref: PMID:16008360 {source="Europe PMC"} xref: PMID:16050680 {source="Europe PMC"} xref: PMID:16348008 {source="Europe PMC"} xref: PMID:16349403 {source="Europe PMC"} xref: PMID:16614889 {source="Europe PMC"} xref: PMID:16664306 {source="Europe PMC"} xref: PMID:16842901 {source="Europe PMC"} xref: PMID:17025297 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17569513 {source="Europe PMC"} xref: PMID:17737668 {source="Europe PMC"} xref: PMID:18670398 {source="Europe PMC"} xref: PMID:22002069 {source="Europe PMC"} xref: PMID:22081570 {source="Europe PMC"} xref: PMID:22088435 {source="Europe PMC"} xref: PMID:22100291 {source="Europe PMC"} xref: PMID:22130175 {source="Europe PMC"} xref: PMID:22150211 {source="Europe PMC"} xref: PMID:22240068 {source="Europe PMC"} xref: PMID:22290316 {source="Europe PMC"} xref: PMID:22342082 {source="Europe PMC"} xref: PMID:22385337 {source="Europe PMC"} xref: PMID:22443779 {source="Europe PMC"} xref: PMID:22560242 {source="Europe PMC"} xref: Reaxys:3587154 {source="Reaxys"} xref: Wikipedia:Ammonia is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:35107 ! azane is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:29337 ! azanide relationship: is_conjugate_base_of CHEBI:28938 ! ammonium relationship: RO:0000087 CHEBI:50910 ! has role neurotoxin relationship: RO:0000087 CHEBI:59740 ! has role nucleophilic reagent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77941 ! has role EC 3.5.1.4 (amidase) inhibitor relationship: RO:0000087 CHEBI:78433 ! has role refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.03056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([H])[H]" xsd:string [Term] id: CHEBI:16137 name: chondroitin D-glucuronate namespace: chebi_ontology alt_id: CHEBI:13989 alt_id: CHEBI:13992 alt_id: CHEBI:23221 alt_id: CHEBI:3673 def: "A mucopolysaccharide composed of repeating beta-D-glucopyranuronosyl-(1->3)-beta-D-N-acetylgalactosaminyl units." [] subset: 3_STAR synonym: "Chondroitin" RELATED [KEGG_COMPOUND] synonym: "Chondroitin-D-glucuronate" RELATED [KEGG_COMPOUND] xref: KEGG:C00401 xref: KEGG:G11334 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:37395 ! mucopolysaccharide relationship: is_conjugate_acid_of CHEBI:57652 ! chondroitin D-glucuronate anion relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/formula "(C14H21NO11)nH2O" xsd:string [Term] id: CHEBI:16189 name: sulfate namespace: chebi_ontology alt_id: CHEBI:15135 alt_id: CHEBI:45687 alt_id: CHEBI:9335 def: "A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid." [] subset: 3_STAR synonym: "[SO4](2-)" RELATED [IUPAC] synonym: "SO4(2-)" RELATED [IUPAC] synonym: "Sulfate" EXACT [KEGG_COMPOUND] synonym: "sulfate" EXACT [UniProt] synonym: "sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfate anion(2-)" RELATED [HMDB] synonym: "Sulfate dianion" RELATED [HMDB] synonym: "SULFATE ION" RELATED [PDBeChem] synonym: "Sulfate(2-)" RELATED [HMDB] synonym: "Sulfuric acid ion(2-)" RELATED [HMDB] synonym: "sulphate" RELATED [ChEBI] synonym: "sulphate ion" RELATED [ChEBI] synonym: "tetraoxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3648446 {source="Beilstein"} xref: CAS:14808-79-8 {source="ChemIDplus"} xref: CAS:14808-79-8 {source="NIST Chemistry WebBook"} xref: Gmelin:2120 {source="Gmelin"} xref: HMDB:HMDB0001448 xref: KEGG:C00059 xref: KEGG:D05963 xref: MetaCyc:SULFATE xref: PDBeChem:SO4 xref: PMID:11200094 {source="Europe PMC"} xref: PMID:11452993 {source="Europe PMC"} xref: PMID:11581495 {source="Europe PMC"} xref: PMID:11798107 {source="Europe PMC"} xref: PMID:12166931 {source="Europe PMC"} xref: PMID:12668033 {source="Europe PMC"} xref: PMID:14597181 {source="Europe PMC"} xref: PMID:15093386 {source="Europe PMC"} xref: PMID:15984785 {source="Europe PMC"} xref: PMID:16186560 {source="Europe PMC"} xref: PMID:16345535 {source="Europe PMC"} xref: PMID:16347366 {source="Europe PMC"} xref: PMID:16348007 {source="Europe PMC"} xref: PMID:16483812 {source="Europe PMC"} xref: PMID:16534979 {source="Europe PMC"} xref: PMID:16656509 {source="Europe PMC"} xref: PMID:16742508 {source="Europe PMC"} xref: PMID:16742518 {source="Europe PMC"} xref: PMID:17120760 {source="Europe PMC"} xref: PMID:17420092 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17709180 {source="Europe PMC"} xref: PMID:18398178 {source="Europe PMC"} xref: PMID:18815700 {source="Europe PMC"} xref: PMID:18846414 {source="Europe PMC"} xref: PMID:19047345 {source="Europe PMC"} xref: PMID:19244483 {source="Europe PMC"} xref: PMID:19544990 {source="Europe PMC"} xref: PMID:19628332 {source="Europe PMC"} xref: PMID:19812358 {source="Europe PMC"} xref: PMID:30398859 {source="Europe PMC"} xref: Reaxys:3648446 {source="Reaxys"} xref: Wikipedia:Sulfate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:45696 ! hydrogensulfate relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:16199 name: urea namespace: chebi_ontology alt_id: CHEBI:15292 alt_id: CHEBI:27218 alt_id: CHEBI:46379 alt_id: CHEBI:9888 def: "A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O)." [] subset: 3_STAR synonym: "1728" RELATED [PPDB] synonym: "Carbamide" RELATED [KEGG_COMPOUND] synonym: "carbamide" RELATED INN [ChEBI] synonym: "carbonyldiamide" RELATED [NIST_Chemistry_WebBook] synonym: "E927b" RELATED [ChEBI] synonym: "H2NC(O)NH2" RELATED [ChEBI] synonym: "Harnstoff" RELATED [NIST_Chemistry_WebBook] synonym: "Karbamid" RELATED [ChEBI] synonym: "ur" RELATED [IUPAC] synonym: "UREA" EXACT [PDBeChem] synonym: "Urea" EXACT [KEGG_COMPOUND] synonym: "urea" EXACT [UniProt] synonym: "urea" EXACT IUPAC_NAME [IUPAC] synonym: "uree" RELATED [ChEBI] xref: Beilstein:635724 {source="Beilstein"} xref: CAS:57-13-6 {source="ChemIDplus"} xref: CAS:57-13-6 {source="NIST Chemistry WebBook"} xref: CAS:57-13-6 {source="KEGG COMPOUND"} xref: Drug_Central:4264 {source="DrugCentral"} xref: DrugBank:DB03904 xref: ECMDB:ECMDB04172 xref: Gmelin:1378 {source="Gmelin"} xref: HMDB:HMDB0000294 xref: KEGG:C00086 xref: KEGG:D00023 xref: KNApSAcK:C00007314 xref: MetaCyc:UREA xref: PDBeChem:URE xref: PMID:18037357 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PPDB:1728 xref: Reaxys:635724 {source="Reaxys"} xref: UM-BBD_compID:c0165 {source="UM-BBD"} xref: Wikipedia:Urea xref: YMDB:YMDB00003 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:64708 ! one-carbon compound relationship: has_functional_parent CHEBI:28976 ! carbonic acid relationship: is_tautomer_of CHEBI:48376 ! carbamimidic acid relationship: RO:0000087 CHEBI:33287 ! has role fertilizer relationship: RO:0000087 CHEBI:64577 ! has role flour treatment agent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05534" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.03236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=O" xsd:string [Term] id: CHEBI:16247 name: phospholipid namespace: chebi_ontology alt_id: CHEBI:14816 alt_id: CHEBI:26063 alt_id: CHEBI:8150 def: "A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides." [] subset: 3_STAR synonym: "a phospholipid derivative" RELATED [UniProt] synonym: "Phospholipid" EXACT [KEGG_COMPOUND] synonym: "phospholipids" RELATED [ChEBI] xref: KEGG:C00865 is_a: CHEBI:18059 ! lipid is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester relationship: is_conjugate_acid_of CHEBI:62643 ! anionic phospholipid [Term] id: CHEBI:16285 name: phytanic acid namespace: chebi_ontology alt_id: CHEBI:26111 alt_id: CHEBI:8189 def: "A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15." [] subset: 3_STAR synonym: "3,7,11,15-tetramethyl hexadecanoic acid" RELATED [ChEBI] synonym: "3,7,11,15-tetramethyl-hexadecanoic acid" RELATED [LIPID_MAPS] synonym: "3,7,11,15-Tetramethyl-hexadecansaeure" RELATED [ChEBI] synonym: "3,7,11,15-tetramethylhexadecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Phytanic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1789963 {source="Beilstein"} xref: CAS:14721-66-5 {source="ChemIDplus"} xref: CAS:14721-66-5 {source="KEGG COMPOUND"} xref: KEGG:C01607 xref: LIPID_MAPS_instance:LMFA01020251 {source="LIPID MAPS"} xref: PMID:12187408 {source="Europe PMC"} xref: PMID:17956237 {source="Europe PMC"} xref: PMID:9819701 {source="Europe PMC"} xref: Reaxys:1789963 {source="Reaxys"} is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:39417 ! branched-chain saturated fatty acid is_a: CHEBI:62499 ! methyl-branched fatty acid relationship: has_functional_parent CHEBI:15756 ! hexadecanoic acid relationship: has_parent_hydride CHEBI:48937 ! phytane relationship: is_conjugate_acid_of CHEBI:37257 ! phytanate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLCKHJSFHOZMDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.53040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O" xsd:string [Term] id: CHEBI:16336 name: hyaluronic acid namespace: chebi_ontology alt_id: CHEBI:14412 alt_id: CHEBI:24622 alt_id: CHEBI:24623 alt_id: CHEBI:5772 def: "A mucopolysaccharide composed of N-acetylglucosamine and glucuronic acid subunits. It is found in the connective tissues of vertebrates. A principal constituent of the extracellular matrix (ECM), it mediates the growth and metastasis of tumour cells." [] subset: 3_STAR synonym: "[beta-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)]n" RELATED [ChEBI] synonym: "[beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n" RELATED [KEGG_COMPOUND] synonym: "acide hyaluronique" RELATED [ChEBI] synonym: "acido hialuronico" RELATED [ChEBI] synonym: "hyaluronan" RELATED [ChEBI] synonym: "Hyaluronic acid" EXACT [KEGG_COMPOUND] synonym: "Hyaluronsaeure" RELATED [ChEBI] xref: Beilstein:8538277 {source="Beilstein"} xref: CAS:9004-61-9 {source="KEGG COMPOUND"} xref: CAS:9004-61-9 {source="ChemIDplus"} xref: HMDB:HMDB0010366 xref: KEGG:C00518 xref: KEGG:D08043 xref: KEGG:G10505 xref: PMID:11122186 {source="Europe PMC"} xref: PMID:18056362 {source="Europe PMC"} xref: PMID:18290544 {source="Europe PMC"} xref: Reaxys:8187837 {source="Reaxys"} xref: Wikipedia:Hyaluronan is_a: BFO:0000004 ! independent continuant is_a: CHEBI:37395 ! mucopolysaccharide is_a: CHEBI:72813 ! exopolysaccharide relationship: is_conjugate_acid_of CHEBI:132153 ! hyaluronate relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C14H21NO12)n" xsd:string [Term] id: CHEBI:16359 name: cholic acid namespace: chebi_ontology alt_id: CHEBI:1694 alt_id: CHEBI:20223 alt_id: CHEBI:23210 alt_id: CHEBI:41494 def: "A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12." [] subset: 3_STAR synonym: "(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate" RELATED [KEGG_COMPOUND] synonym: "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid" RELATED [KEGG_COMPOUND] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid" RELATED [NIST_Chemistry_WebBook] synonym: "CHOLIC ACID" EXACT [PDBeChem] synonym: "Cholic acid" EXACT [KEGG_COMPOUND] synonym: "Cholsaeure" RELATED [ChEBI] xref: Beilstein:2822009 {source="ChemIDplus"} xref: CAS:81-25-4 {source="ChemIDplus"} xref: CAS:81-25-4 {source="NIST Chemistry WebBook"} xref: CAS:81-25-4 {source="KEGG COMPOUND"} xref: Drug_Central:3096 {source="DrugCentral"} xref: DrugBank:DB02659 xref: HMDB:HMDB0000619 xref: KEGG:C00695 xref: LINCS:LSM-5541 xref: LIPID_MAPS_instance:LMST04010001 {source="LIPID MAPS"} xref: MetaCyc:CHOLATE xref: PDBeChem:CHD xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:2822009 {source="Reaxys"} xref: Wikipedia:Cholic_Acid is_a: CHEBI:131620 ! C24-steroid is_a: CHEBI:27114 ! trihydroxy-5beta-cholanic acid is_a: CHEBI:3098 ! bile acid is_a: CHEBI:36835 ! 3alpha-hydroxy steroid is_a: CHEBI:36843 ! 7alpha-hydroxy steroid is_a: CHEBI:36846 ! 12alpha-hydroxy steroid relationship: is_conjugate_acid_of CHEBI:29747 ! cholate relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BHQCQFFYRZLCQQ-OELDTZBJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "408.57140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "408.28757" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:16375 name: D-cysteine namespace: chebi_ontology alt_id: CHEBI:12919 alt_id: CHEBI:20921 alt_id: CHEBI:4111 alt_id: CHEBI:41887 def: "An optically active form of cysteine having D-configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "(2S)-2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(S)-2-amino-3-mercaptopropanoic acid" RELATED [ChEBI] synonym: "D-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Cystein" RELATED [ChEBI] synonym: "D-CYSTEINE" EXACT [PDBeChem] synonym: "D-Cysteine" EXACT [KEGG_COMPOUND] synonym: "D-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "D-Zystein" RELATED [ChEBI] synonym: "DCY" RELATED [PDBeChem] xref: Beilstein:1721407 {source="Beilstein"} xref: CAS:921-01-7 {source="KEGG COMPOUND"} xref: CAS:921-01-7 {source="ChemIDplus"} xref: DrugBank:DB03201 xref: ECMDB:ECMDB03417 xref: Gmelin:363236 {source="Gmelin"} xref: HMDB:HMDB0003417 xref: KEGG:C00793 xref: KNApSAcK:C00007323 xref: PDBeChem:DCY xref: PMID:13761469 {source="Europe PMC"} xref: PMID:23340406 {source="Europe PMC"} xref: PMID:24800864 {source="Europe PMC"} xref: Reaxys:1721407 {source="Reaxys"} xref: YMDB:YMDB00913 is_a: CHEBI:15356 ! cysteine is_a: CHEBI:16733 ! D-alpha-amino acid relationship: is_conjugate_acid_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32451 ! D-cysteinium relationship: is_enantiomer_of CHEBI:17561 ! L-cysteine relationship: is_tautomer_of CHEBI:35236 ! D-cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:16389 name: ubiquinones namespace: chebi_ontology alt_id: CHEBI:15279 alt_id: CHEBI:27186 alt_id: CHEBI:9852 def: "Any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants." [] subset: 3_STAR synonym: "a ubiquinone" RELATED [UniProt] synonym: "Coenzym Q" RELATED [ChEBI] synonym: "Coenzyme Q" RELATED [KEGG_COMPOUND] synonym: "coenzyme Q" RELATED [ChEBI] synonym: "coenzymes Q" RELATED [ChEBI] synonym: "CoQ" RELATED [KEGG_COMPOUND] synonym: "Koenzym Q" RELATED [ChEBI] synonym: "mitochondrial ubiquinone" RELATED [ChEBI] synonym: "mitochondrial ubiquinones" RELATED [ChEBI] synonym: "mitoquinones" RELATED [ChEBI] synonym: "Q" RELATED [KEGG_COMPOUND] synonym: "Ubichinon" RELATED [ChEBI] synonym: "Ubiquinone" RELATED [KEGG_COMPOUND] synonym: "Ubiquinones" EXACT [ChemIDplus] xref: CAS:1339-63-5 {source="ChemIDplus"} xref: CAS:1339-63-5 {source="KEGG COMPOUND"} xref: KEGG:C00399 xref: PMID:15788391 {source="Europe PMC"} xref: PMID:7599208 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132124 ! 1,4-benzoquinones is_a: CHEBI:26255 ! prenylquinone relationship: has_functional_parent CHEBI:46691 ! 2,3-dihydroxy-5-methyl-1,4-benzoquinone relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O4(C5H8)n" xsd:string [Term] id: CHEBI:16454 name: pantothenate namespace: chebi_ontology alt_id: CHEBI:14739 alt_id: CHEBI:25846 def: "A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate" RELATED [ChEBI] synonym: "pantothenate" EXACT [UniProt] xref: PMID:21463532 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:7916 ! pantothenic acid relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "218.22700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.10340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)C(O)C(=O)NCCC([O-])=O" xsd:string [Term] id: CHEBI:16523 name: D-serine namespace: chebi_ontology alt_id: CHEBI:13019 alt_id: CHEBI:143888 alt_id: CHEBI:21090 alt_id: CHEBI:42262 alt_id: CHEBI:4245 def: "The R-enantiomer of serine." [] subset: 3_STAR synonym: "(2R)-2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "(R)-2-Amino-3-hydroxy-propionic acid" RELATED [ChEMBL] synonym: "(R)-2-amino-3-hydroxypropanoic acid" RELATED [ChEBI] synonym: "D-Serin" RELATED [ChEBI] synonym: "D-SERINE" EXACT [PDBeChem] synonym: "D-Serine" EXACT [KEGG_COMPOUND] synonym: "D-serine" EXACT IUPAC_NAME [IUPAC] synonym: "DSN" RELATED [PDBeChem] xref: Beilstein:1721403 {source="Beilstein"} xref: CAS:312-84-5 {source="ChemIDplus"} xref: CAS:312-84-5 {source="NIST Chemistry WebBook"} xref: CAS:312-84-5 {source="KEGG COMPOUND"} xref: DrugBank:DB03929 xref: ECMDB:ECMDB03406 xref: Gmelin:1041392 {source="Gmelin"} xref: HMDB:HMDB0003406 xref: KEGG:C00740 xref: MetaCyc:D-SERINE xref: PDBeChem:DSN xref: PMID:11864625 {source="Europe PMC"} xref: PMID:12850593 {source="Europe PMC"} xref: PMID:19212759 {source="Europe PMC"} xref: PMID:19217074 {source="Europe PMC"} xref: PMID:21295046 {source="Europe PMC"} xref: PMID:21914633 {source="Europe PMC"} xref: PMID:21956571 {source="Europe PMC"} xref: PMID:22117694 {source="Europe PMC"} xref: PMID:22128843 {source="Europe PMC"} xref: PMID:22266400 {source="Europe PMC"} xref: PMID:22280157 {source="Europe PMC"} xref: PMID:22362148 {source="Europe PMC"} xref: PMID:22369458 {source="Europe PMC"} xref: PMID:22445805 {source="Europe PMC"} xref: PMID:22465696 {source="Europe PMC"} xref: PMID:22486999 {source="Europe PMC"} xref: Reaxys:1721403 {source="Reaxys"} xref: YMDB:YMDB00284 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:17822 ! serine relationship: is_conjugate_acid_of CHEBI:32840 ! D-serinate relationship: is_conjugate_base_of CHEBI:32841 ! D-serinium relationship: is_enantiomer_of CHEBI:17115 ! L-serine relationship: is_tautomer_of CHEBI:35247 ! D-serine zwitterion relationship: RO:0000087 CHEBI:64571 ! has role NMDA receptor agonist relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CO)C(O)=O" xsd:string [Term] id: CHEBI:16541 name: protein polypeptide chain namespace: chebi_ontology alt_id: CHEBI:8526 def: "A naturally occurring polypeptide synthesized at the ribosome." [] subset: 3_STAR synonym: "a protein" RELATED [UniProt] synonym: "polypeptide chain" RELATED [ChEBI] synonym: "Protein" RELATED [KEGG_COMPOUND] synonym: "protein polypeptide chains" RELATED [ChEBI] xref: KEGG:C00017 is_a: CHEBI:15841 ! polypeptide relationship: has_part CHEBI:33700 ! proteinogenic amino-acid residue [Term] id: CHEBI:16643 name: L-methionine namespace: chebi_ontology alt_id: CHEBI:13141 alt_id: CHEBI:21360 alt_id: CHEBI:43990 alt_id: CHEBI:6271 def: "The L-enantiomer of methionine." [] subset: 3_STAR synonym: "(2S)-2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "(S)-2-amino-4-(methylthio)butanoic acid" RELATED [ChemIDplus] synonym: "(S)-2-amino-4-(methylthio)butyric acid" RELATED [ChemIDplus] synonym: "(S)-methionine" RELATED [ChEBI] synonym: "L-(-)-methionine" RELATED [NIST_Chemistry_WebBook] synonym: "L-alpha-amino-gamma-methylmercaptobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Methionin" RELATED [ChEBI] synonym: "L-Methionine" EXACT [KEGG_COMPOUND] synonym: "L-methionine" EXACT IUPAC_NAME [IUPAC] synonym: "M" RELATED [ChEBI] synonym: "Met" RELATED [ChEBI] synonym: "METHIONINE" RELATED [PDBeChem] synonym: "Methionine" RELATED [KEGG_COMPOUND] synonym: "Methionine" RELATED [KEGG_DRUG] xref: CAS:63-68-3 {source="ChemIDplus"} xref: CAS:63-68-3 {source="NIST Chemistry WebBook"} xref: CAS:63-68-3 {source="KEGG COMPOUND"} xref: Drug_Central:3347 {source="DrugCentral"} xref: DrugBank:DB00134 xref: ECMDB:ECMDB00696 xref: Gmelin:26935 {source="Gmelin"} xref: HMDB:HMDB0000696 xref: KEGG:C00073 xref: KEGG:D00019 xref: KNApSAcK:C00001379 xref: MetaCyc:MET xref: PDBeChem:MET_LFOH xref: PMID:16575097 {source="Europe PMC"} xref: PMID:21683740 {source="Europe PMC"} xref: PMID:21946918 {source="Europe PMC"} xref: PMID:22200379 {source="Europe PMC"} xref: PMID:22370952 {source="Europe PMC"} xref: PMID:22448874 {source="Europe PMC"} xref: PMID:22517898 {source="Europe PMC"} xref: PMID:24126240 {source="Europe PMC"} xref: PMID:24939187 {source="Europe PMC"} xref: PMID:5764336 {source="Europe PMC"} xref: Reaxys:1722294 {source="Reaxys"} xref: YMDB:YMDB00318 is_a: CHEBI:16811 ! methionine is_a: CHEBI:22658 ! aspartate family amino acid relationship: is_conjugate_acid_of CHEBI:32631 ! L-methioninate relationship: is_conjugate_base_of CHEBI:32632 ! L-methioninium relationship: is_enantiomer_of CHEBI:16867 ! D-methionine relationship: is_tautomer_of CHEBI:57844 ! L-methionine zwitterion relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical relationship: RO:0000087 CHEBI:74529 ! has role antidote to paracetamol poisoning relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@H](N)C(O)=O" xsd:string [Term] id: CHEBI:16646 name: carbohydrate namespace: chebi_ontology alt_id: CHEBI:15131 alt_id: CHEBI:23008 alt_id: CHEBI:9318 def: "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." [] subset: 3_STAR synonym: "a carbohydrate" RELATED [UniProt] synonym: "carbohidrato" RELATED [IUPAC] synonym: "carbohidratos" RELATED [IUPAC] synonym: "carbohydrate" EXACT IUPAC_NAME [IUPAC] synonym: "carbohydrates" EXACT IUPAC_NAME [IUPAC] synonym: "glucide" RELATED [ChEBI] synonym: "glucides" RELATED [ChEBI] synonym: "glucido" RELATED [ChEBI] synonym: "glucidos" RELATED [ChEBI] synonym: "hydrates de carbone" RELATED [ChEBI] synonym: "Kohlenhydrat" RELATED [ChEBI] synonym: "Kohlenhydrate" RELATED [ChEBI] synonym: "saccharide" RELATED [IUPAC] synonym: "saccharides" RELATED [IUPAC] synonym: "saccharidum" RELATED [ChEBI] xref: Wikipedia:Carbohydrate is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives [Term] id: CHEBI:16670 name: peptide namespace: chebi_ontology alt_id: CHEBI:14753 alt_id: CHEBI:25906 alt_id: CHEBI:7990 def: "Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc." [] subset: 3_STAR synonym: "Peptid" RELATED [ChEBI] synonym: "Peptide" EXACT [KEGG_COMPOUND] synonym: "peptides" EXACT IUPAC_NAME [IUPAC] synonym: "peptido" RELATED [ChEBI] synonym: "peptidos" RELATED [ChEBI] xref: KEGG:C00012 is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:50047 ! organic amino compound relationship: has_part CHEBI:33708 ! amino-acid residue relationship: is_tautomer_of CHEBI:60466 ! peptide zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C2H2NOR)nC2H3NOR" xsd:string [Term] id: CHEBI:166831 name: copper chelator namespace: chebi_ontology def: "A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points." [] subset: 3_STAR synonym: "copper chelate" RELATED [ChEBI] synonym: "copper chelating agent" RELATED [ChEBI] synonym: "copper chelating agents" RELATED [ChEBI] synonym: "copper chelator" EXACT [ChEBI] synonym: "copper chelators" RELATED [ChEBI] xref: PMID:24934357 {source="Europe PMC"} xref: PMID:29710396 {source="Europe PMC"} is_a: CHEBI:38161 ! chelator [Term] id: CHEBI:166856 name: hydroxytrimethylaminium namespace: chebi_ontology def: "A methylated tertiary amine that is trimethylammonium in which the hydrogen attached to the nitrogen is replaced by a hydroxy group." [] subset: 3_STAR synonym: "(CH3)3NOH" RELATED [ChEBI] synonym: "hydroxy(trimethyl)ammonium" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxy(trimethyl)azanium" RELATED [IUPAC] synonym: "hydroxytrimethylazanium" RELATED [IUPAC] is_a: CHEBI:137983 ! methylated tertiary amine is_a: CHEBI:33822 ! organic hydroxy compound relationship: has_functional_parent CHEBI:58389 ! trimethylammonium relationship: is_conjugate_acid_of CHEBI:15724 ! trimethylamine N-oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H10NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H10NO/c1-4(2,3)5/h5H,1-3H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGHYUXIXXNHKSE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.118" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.07569" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)O" xsd:string [Term] id: CHEBI:16704 name: uridine namespace: chebi_ontology alt_id: CHEBI:15296 alt_id: CHEBI:27227 alt_id: CHEBI:46386 alt_id: CHEBI:46391 alt_id: CHEBI:46460 alt_id: CHEBI:9893 def: "A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond." [] subset: 3_STAR synonym: "1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione" RELATED [ChEBI] synonym: "1-beta-D-ribofuranosyluracil" RELATED [HMDB] synonym: "beta-Uridine" RELATED [HMDB] synonym: "u" RELATED [ChEBI] synonym: "Urd" RELATED [CBN] synonym: "Uridin" RELATED [ChemIDplus] synonym: "URIDINE" EXACT [PDBeChem] synonym: "Uridine" EXACT [KEGG_COMPOUND] synonym: "uridine" EXACT IUPAC_NAME [IUPAC] synonym: "uridine" EXACT [UniProt] xref: Beilstein:754904 {source="Beilstein"} xref: CAS:58-96-8 {source="ChemIDplus"} xref: CAS:58-96-8 {source="KEGG COMPOUND"} xref: DrugBank:DB02745 xref: ECMDB:ECMDB00296 xref: Gmelin:397474 {source="Gmelin"} xref: HMDB:HMDB0000296 xref: KEGG:C00299 xref: KNApSAcK:C00019674 xref: MetaCyc:URIDINE xref: PDBeChem:URI xref: PMID:12084455 {source="Europe PMC"} xref: PMID:15621516 {source="Europe PMC"} xref: PMID:16839635 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22392515 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:754904 {source="Reaxys"} xref: Wikipedia:Uridine xref: YMDB:YMDB00127 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:27242 ! uridines relationship: RO:0000087 CHEBI:49103 ! has role drug metabolite relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRTQHJPVMGBUCF-XVFCMESISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.20146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.06954" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:16705 name: 6-aminopenicillanic acid namespace: chebi_ontology alt_id: CHEBI:20705 alt_id: CHEBI:2172 def: "A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics." [] subset: 3_STAR synonym: "(+)-6-aminopenicillanic acid" RELATED [ChEBI] synonym: "(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "6-amino-2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "6-Aminopenicillamine acid" RELATED [ChemIDplus] synonym: "6-Aminopenicillanate" RELATED [KEGG_COMPOUND] synonym: "6-Aminopenicillanic acid" EXACT [KEGG_COMPOUND] synonym: "6-APA" RELATED [ChEBI] synonym: "6-Apa" RELATED [ChemIDplus] synonym: "6-Aps" RELATED [ChemIDplus] synonym: "6beta-aminopenicillanic acid" RELATED [ChEBI] synonym: "Aminopenicillanic acid" RELATED [ChemIDplus] synonym: "Penicin" RELATED [ChemIDplus] synonym: "Penin" RELATED [ChemIDplus] synonym: "Phenacyl 6-aminopenicillinate" RELATED [ChemIDplus] xref: Beilstein:15080 {source="Beilstein"} xref: Beilstein:959078 {source="Beilstein"} xref: CAS:551-16-6 {source="ChemIDplus"} xref: CAS:551-16-6 {source="KEGG COMPOUND"} xref: Gmelin:1876702 {source="Gmelin"} xref: KEGG:C02954 xref: Patent:US2941995 xref: PDBeChem:X1E xref: PMID:12569987 {source="Europe PMC"} xref: PMID:1384868 {source="Europe PMC"} xref: PMID:14687482 {source="Europe PMC"} xref: PMID:1701026 {source="Europe PMC"} xref: PMID:20970923 {source="Europe PMC"} xref: PMID:21614893 {source="Europe PMC"} xref: PMID:24293403 {source="Europe PMC"} xref: PMID:24389703 {source="Europe PMC"} xref: PMID:24631718 {source="Europe PMC"} xref: PMID:25057428 {source="Europe PMC"} xref: PMID:26852849 {source="Europe PMC"} xref: PMID:26986755 {source="Europe PMC"} xref: PMID:6166603 {source="Europe PMC"} xref: Reaxys:15080 {source="Reaxys"} xref: Wikipedia:6-APA is_a: CHEBI:25865 ! penicillanic acids relationship: has_functional_parent CHEBI:37806 ! penicillanic acid relationship: is_conjugate_base_of CHEBI:30938 ! 6-aminopenicillanate relationship: is_tautomer_of CHEBI:57869 ! 6-aminopenicillanic acid zwitterion relationship: RO:0000087 CHEBI:50904 ! has role allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGHVIOIJCVXTGV-ALEPSDHESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "216.260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "216.05686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O" xsd:string [Term] id: CHEBI:16709 name: pyridoxine namespace: chebi_ontology alt_id: CHEBI:14981 alt_id: CHEBI:26429 alt_id: CHEBI:8671 def: "A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid." [] subset: 3_STAR synonym: "2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine" RELATED [ChemIDplus] synonym: "2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine" RELATED [ChemIDplus] synonym: "2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin" RELATED [ChemIDplus] synonym: "2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine" RELATED [NIST_Chemistry_WebBook] synonym: "2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine" RELATED [ChemIDplus] synonym: "2-methyl-4,5-dimethylol-pyridin-3-ol" RELATED [ChEBI] synonym: "3-hydroxy-2-picoline-4,5-dimethanol" RELATED [ChemIDplus] synonym: "3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine" RELATED [ChEBI] synonym: "3-hydroxy-4,5-dimethylol-alpha-picoline" RELATED [NIST_Chemistry_WebBook] synonym: "4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol" RELATED [ChEBI] synonym: "4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "5-hydroxy-6-methyl-3,4-pyridinedimethanol" RELATED [NIST_Chemistry_WebBook] synonym: "piridossina" RELATED [HMDB] synonym: "pyridoxina" RELATED INN [WHO_MedNet] synonym: "pyridoxine" EXACT [UniProt] synonym: "pyridoxine" RELATED INN [WHO_MedNet] synonym: "pyridoxinum" RELATED INN [WHO_MedNet] synonym: "Pyridoxol" RELATED [KEGG_COMPOUND] synonym: "pyridoxolum" RELATED [HMDB] synonym: "vitamin B6" RELATED [NIST_Chemistry_WebBook] xref: AGR:IND607198670 {source="Europe PMC"} xref: Beilstein:139854 {source="Beilstein"} xref: CAS:65-23-6 {source="NIST Chemistry WebBook"} xref: CAS:65-23-6 {source="KEGG COMPOUND"} xref: CAS:65-23-6 {source="ChemIDplus"} xref: Chemspider:1025 xref: Drug_Central:2836 {source="DrugCentral"} xref: DrugBank:DB00165 xref: FooDB:FDB000574 xref: Gmelin:563676 {source="Gmelin"} xref: HMDB:HMDB0000239 xref: KEGG:C00314 xref: KEGG:D08454 xref: KNApSAcK:C00001551 xref: LINCS:LSM-5324 xref: MetaCyc:PYRIDOXINE xref: PDBeChem:UEG xref: PMID:10687314 {source="Europe PMC"} xref: PMID:10894227 {source="Europe PMC"} xref: PMID:11562405 {source="Europe PMC"} xref: PMID:12640345 {source="Europe PMC"} xref: PMID:12768081 {source="Europe PMC"} xref: PMID:13046427 {source="Europe PMC"} xref: PMID:15132238 {source="Europe PMC"} xref: PMID:15369738 {source="Europe PMC"} xref: PMID:15756083 {source="Europe PMC"} xref: PMID:16236150 {source="Europe PMC"} xref: PMID:16277693 {source="Europe PMC"} xref: PMID:16690736 {source="Europe PMC"} xref: PMID:17044573 {source="Europe PMC"} xref: PMID:22932811 {source="Europe PMC"} xref: PMID:24035968 {source="Europe PMC"} xref: PMID:24601602 {source="Europe PMC"} xref: PMID:2580028 {source="Europe PMC"} xref: PMID:27113583 {source="Europe PMC"} xref: PMID:2885064 {source="Europe PMC"} xref: PMID:31093449 {source="Europe PMC"} xref: PMID:32105687 {source="Europe PMC"} xref: PMID:33549283 {source="Europe PMC"} xref: PMID:33665688 {source="Europe PMC"} xref: PMID:3710434 {source="Europe PMC"} xref: PMID:559690 {source="Europe PMC"} xref: PMID:6624427 {source="Europe PMC"} xref: PMID:6801073 {source="Europe PMC"} xref: PMID:9625217 {source="Europe PMC"} xref: Reaxys:139854 {source="Reaxys"} xref: Wikipedia:Pyridoxine is_a: CHEBI:25340 ! methylpyridines is_a: CHEBI:27306 ! vitamin B6 is_a: CHEBI:38182 ! monohydroxypyridine is_a: CHEBI:38196 ! hydroxymethylpyridine relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LXNHXLLTXMVWPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(O)C(CO)=C(CO)C=N1" xsd:string [Term] id: CHEBI:16716 name: benzene namespace: chebi_ontology alt_id: CHEBI:13876 alt_id: CHEBI:22703 alt_id: CHEBI:3025 alt_id: CHEBI:41187 def: "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." [] subset: 3_STAR synonym: "[6]annulene" RELATED [NIST_Chemistry_WebBook] synonym: "Benzen" RELATED [IUPAC] synonym: "BENZENE" EXACT [PDBeChem] synonym: "Benzene" EXACT [KEGG_COMPOUND] synonym: "benzene" EXACT IUPAC_NAME [IUPAC] synonym: "benzene" EXACT [UniProt] synonym: "benzene" EXACT [ChEBI] synonym: "Benzine" RELATED [UM-BBD] synonym: "Benzol" RELATED [ChemIDplus] synonym: "benzole" RELATED [NIST_Chemistry_WebBook] synonym: "Bicarburet of hydrogen" RELATED [ChemIDplus] synonym: "Coal naphtha" RELATED [ChemIDplus] synonym: "cyclohexatriene" RELATED [UM-BBD] synonym: "Mineral naphtha" RELATED [ChemIDplus] synonym: "Phene" RELATED [ChemIDplus] synonym: "phenyl hydride" RELATED [UM-BBD] synonym: "Pyrobenzol" RELATED [ChemIDplus] synonym: "Pyrobenzole" RELATED [ChemIDplus] xref: Beilstein:969212 {source="Beilstein"} xref: CAS:71-43-2 {source="ChemIDplus"} xref: CAS:71-43-2 {source="NIST Chemistry WebBook"} xref: CAS:71-43-2 {source="KEGG COMPOUND"} xref: Gmelin:1671 {source="Gmelin"} xref: HMDB:HMDB0001505 xref: KEGG:C01407 xref: PDBeChem:BNZ xref: PMID:11684179 {source="Europe PMC"} xref: PMID:11993966 {source="Europe PMC"} xref: PMID:12857942 {source="Europe PMC"} xref: PMID:14677922 {source="Europe PMC"} xref: PMID:15468289 {source="Europe PMC"} xref: PMID:15935818 {source="Europe PMC"} xref: PMID:16161967 {source="Europe PMC"} xref: PMID:17373369 {source="Europe PMC"} xref: PMID:18072742 {source="Europe PMC"} xref: PMID:18407866 {source="Europe PMC"} xref: PMID:18409691 {source="Europe PMC"} xref: PMID:18836923 {source="Europe PMC"} xref: PMID:19228219 {source="Europe PMC"} xref: PMID:21325737 {source="Europe PMC"} xref: PMID:23088855 {source="Europe PMC"} xref: PMID:23222815 {source="Europe PMC"} xref: PMID:23534829 {source="Europe PMC"} xref: PMID:6353911 {source="Europe PMC"} xref: PMID:8124204 {source="Europe PMC"} xref: Reaxys:969212 {source="Reaxys"} xref: UM-BBD_compID:c0142 {source="UM-BBD"} xref: Wikipedia:Benzene is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33842 ! aromatic annulene relationship: RO:0000087 CHEBI:48355 ! has role non-polar solvent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:78298 ! has role environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHOVQNZJYSORNB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.11184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.04695" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccccc1" xsd:string [Term] id: CHEBI:167164 name: mineral nutrient namespace: chebi_ontology def: "A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body." [] subset: 3_STAR synonym: "mineral nutrient" EXACT [ChEBI] synonym: "mineral nutrients" RELATED [ChEBI] synonym: "nutrient mineral" RELATED [ChEBI] synonym: "nutrient minerals" RELATED [ChEBI] xref: Wikipedia:Mineral_(nutrient) is_a: BFO:0000004 ! independent continuant is_a: CHEBI:46662 ! mineral relationship: RO:0000087 CHEBI:33284 ! has role nutrient [Term] id: CHEBI:16733 name: D-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:12909 alt_id: CHEBI:13625 alt_id: CHEBI:20906 alt_id: CHEBI:4097 subset: 3_STAR synonym: "D-alpha-amino acid" EXACT [ChEBI] synonym: "D-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-amino acids" RELATED [ChEBI] synonym: "D-Amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C00405 is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: is_conjugate_acid_of CHEBI:60895 ! D-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59871 ! D-alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H]([*])C(O)=O" xsd:string [Term] id: CHEBI:16755 name: chenodeoxycholic acid namespace: chebi_ontology alt_id: CHEBI:23094 alt_id: CHEBI:3588 alt_id: CHEBI:3593 def: "A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively." [] subset: 3_STAR synonym: "3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha-Dihydroxy-5beta-cholanic acid" RELATED [KEGG_COMPOUND] synonym: "7alpha-hydroxylithocholic acid" RELATED [ChemIDplus] synonym: "anthropodeoxycholic acid" RELATED [ChemIDplus] synonym: "anthropodesoxycholic acid" RELATED [ChemIDplus] synonym: "CDCA" RELATED [IUPHAR] synonym: "chenic acid" RELATED [ChemIDplus] synonym: "Chenix" RELATED [ChemIDplus] synonym: "Chenodeoxycholic acid" EXACT [KEGG_COMPOUND] synonym: "Chenodiol" RELATED [KEGG_COMPOUND] synonym: "gallodesoxycholic acid" RELATED [ChemIDplus] xref: Beilstein:3219887 {source="Beilstein"} xref: CAS:474-25-9 {source="ChemIDplus"} xref: CAS:474-25-9 {source="KEGG COMPOUND"} xref: Drug_Central:4361 {source="DrugCentral"} xref: DrugBank:DB06777 xref: HMDB:HMDB0000518 xref: KEGG:C02528 xref: KEGG:D00163 xref: LINCS:LSM-5353 xref: LIPID_MAPS_instance:LMST04010032 {source="LIPID MAPS"} xref: PDBeChem:JN3 xref: PMID:11530998 {source="Europe PMC"} xref: PMID:16037564 {source="Europe PMC"} xref: PMID:24448653 {source="Europe PMC"} xref: PMID:24464484 {source="Europe PMC"} xref: Reaxys:3219887 {source="Reaxys"} xref: Wikipedia:Chenodiol is_a: CHEBI:131620 ! C24-steroid is_a: CHEBI:23775 ! dihydroxy-5beta-cholanic acid is_a: CHEBI:3098 ! bile acid relationship: is_conjugate_acid_of CHEBI:36234 ! chenodeoxycholate relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RUDATBOHQWOJDD-BSWAIDMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "392.57200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "392.29266" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:167559 name: glycan namespace: chebi_ontology def: "Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001." [] subset: 3_STAR synonym: "glycans" RELATED [ChEBI] is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives [Term] id: CHEBI:16811 name: methionine namespace: chebi_ontology alt_id: CHEBI:14590 alt_id: CHEBI:25229 alt_id: CHEBI:6829 def: "A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4." [] subset: 3_STAR synonym: "2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "2-amino-4-(methylthio)butanoic acid" RELATED [JCBN] synonym: "2-Amino-4-(methylthio)butyric acid" RELATED [KEGG_COMPOUND] synonym: "alpha-amino-gamma-methylmercaptobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "DL-Methionine" RELATED [KEGG_DRUG] synonym: "Hmet" RELATED [IUPAC] synonym: "M" RELATED [ChEBI] synonym: "Met" RELATED [ChEBI] synonym: "Methionin" RELATED [ChEBI] synonym: "Methionine" EXACT [KEGG_COMPOUND] synonym: "methionine" EXACT IUPAC_NAME [IUPAC] synonym: "methionine" EXACT [ChEBI] synonym: "metionina" RELATED [ChEBI] synonym: "Racemethionine" RELATED [KEGG_DRUG] xref: Beilstein:636185 {source="Beilstein"} xref: CAS:59-51-8 {source="NIST Chemistry WebBook"} xref: CAS:59-51-8 {source="ChemIDplus"} xref: CAS:59-51-8 {source="KEGG COMPOUND"} xref: Gmelin:3117 {source="Gmelin"} xref: KEGG:C01733 xref: KEGG:D04983 xref: PMID:16702333 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:2543976 {source="Europe PMC"} xref: Reaxys:636185 {source="Reaxys"} xref: UM-BBD_compID:c0094 {source="UM-BBD"} xref: Wikipedia:Methionine is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: is_conjugate_acid_of CHEBI:32644 ! methioninate relationship: is_conjugate_base_of CHEBI:32646 ! methioninium relationship: is_tautomer_of CHEBI:64558 ! methionine zwitterion relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC(N)C(O)=O" xsd:string [Term] id: CHEBI:16867 name: D-methionine namespace: chebi_ontology alt_id: CHEBI:13005 alt_id: CHEBI:21065 alt_id: CHEBI:4215 alt_id: CHEBI:44071 def: "An optically active form of methionine having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "(R)-2-amino-4-(methylthio)butanoic acid" RELATED [JCBN] synonym: "(R)-methionine" RELATED [ChemIDplus] synonym: "D-2-Amino-4-(methylthio)butyric acid" RELATED [KEGG_COMPOUND] synonym: "D-Methionin" RELATED [ChEBI] synonym: "D-METHIONINE" EXACT [PDBeChem] synonym: "D-Methionine" EXACT [KEGG_COMPOUND] synonym: "D-methionine" EXACT IUPAC_NAME [IUPAC] synonym: "MED" RELATED [PDBeChem] xref: Beilstein:1722293 {source="Beilstein"} xref: CAS:348-67-4 {source="KEGG COMPOUND"} xref: CAS:348-67-4 {source="NIST Chemistry WebBook"} xref: CAS:348-67-4 {source="ChemIDplus"} xref: DrugBank:DB02893 xref: ECMDB:ECMDB21203 xref: Gmelin:26934 {source="Gmelin"} xref: KEGG:C00855 xref: MetaCyc:CPD-218 xref: PDBeChem:MED xref: PMID:15375647 {source="Europe PMC"} xref: PMID:20431016 {source="Europe PMC"} xref: PMID:20872028 {source="Europe PMC"} xref: PMID:21480759 {source="Europe PMC"} xref: PMID:21750343 {source="Europe PMC"} xref: PMID:21924333 {source="Europe PMC"} xref: PMID:22192214 {source="Europe PMC"} xref: PMID:22304623 {source="Europe PMC"} xref: PMID:318639 {source="Europe PMC"} xref: Reaxys:1722293 {source="Reaxys"} xref: YMDB:YMDB00816 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:16811 ! methionine relationship: is_conjugate_acid_of CHEBI:32637 ! D-methioninate relationship: is_conjugate_base_of CHEBI:32638 ! D-methioninium relationship: is_enantiomer_of CHEBI:16643 ! L-methionine relationship: is_tautomer_of CHEBI:57932 ! D-methionine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@@H](N)C(O)=O" xsd:string [Term] id: CHEBI:16919 name: creatine namespace: chebi_ontology alt_id: CHEBI:14028 alt_id: CHEBI:23404 alt_id: CHEBI:3909 alt_id: CHEBI:41678 def: "A glycine derivative having methyl and amidino groups attached to the nitrogen." [] subset: 3_STAR synonym: "((amino(imino)methyl)(methyl)amino)acetic acid" RELATED [HMDB] synonym: "(alpha-methylguanido)acetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(alpha-methylguanido)acetic acid" RELATED [HMDB] synonym: "(N-methylcarbamimidamido)acetic acid" RELATED [ChEBI] synonym: "alpha-Methylguanidino acetic acid" RELATED [KEGG_COMPOUND] synonym: "Creatin" RELATED [ChemIDplus] synonym: "Creatine" EXACT [KEGG_COMPOUND] synonym: "Kreatin" RELATED [ChemIDplus] synonym: "Methylglycocyamine" RELATED [KEGG_COMPOUND] synonym: "N-(aminoiminomethyl)-N-methylglycine" RELATED [NIST_Chemistry_WebBook] synonym: "N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE" RELATED [PDBeChem] synonym: "N-[amino(imino)methyl]-N-methylglycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-amidinosarcosine" RELATED [ChemIDplus] synonym: "N-carbamimidoyl-N-methylglycine" RELATED [PDBeChem] synonym: "N-Methyl-N-guanylglycine" RELATED [HMDB] synonym: "N-methyl-N-guanylglycine" RELATED [ChemIDplus] xref: Beilstein:907175 {source="Beilstein"} xref: CAS:57-00-1 {source="NIST Chemistry WebBook"} xref: CAS:57-00-1 {source="KEGG COMPOUND"} xref: CAS:57-00-1 {source="ChemIDplus"} xref: Chemspider:566 xref: Drug_Central:4661 {source="DrugCentral"} xref: DrugBank:DB00148 xref: Gmelin:240513 {source="Gmelin"} xref: HMDB:HMDB0000064 xref: KEGG:C00300 xref: MetaCyc:CREATINE xref: PDBeChem:CRN xref: PMID:11356982 {source="Europe PMC"} xref: PMID:11483809 {source="Europe PMC"} xref: PMID:11867929 {source="Europe PMC"} xref: PMID:12085493 {source="Europe PMC"} xref: PMID:12184144 {source="Europe PMC"} xref: PMID:12878267 {source="Europe PMC"} xref: PMID:16445883 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:17253521 {source="Europe PMC"} xref: PMID:17416441 {source="Europe PMC"} xref: PMID:18555535 {source="Europe PMC"} xref: PMID:19082141 {source="Europe PMC"} xref: PMID:19651674 {source="Europe PMC"} xref: PMID:19741514 {source="Europe PMC"} xref: PMID:19968328 {source="Europe PMC"} xref: PMID:21556832 {source="Europe PMC"} xref: PMID:21660517 {source="Europe PMC"} xref: PMID:21698493 {source="Europe PMC"} xref: PMID:22038587 {source="Europe PMC"} xref: PMID:22101931 {source="Europe PMC"} xref: PMID:22196490 {source="Europe PMC"} xref: PMID:22252611 {source="Europe PMC"} xref: PMID:22347384 {source="Europe PMC"} xref: PMID:22386973 {source="Europe PMC"} xref: PMID:22422801 {source="Europe PMC"} xref: PMID:22429992 {source="Europe PMC"} xref: PMID:22465051 {source="Europe PMC"} xref: PMID:22521466 {source="Europe PMC"} xref: PMID:7752905 {source="Europe PMC"} xref: Reaxys:907175 {source="Reaxys"} xref: Wikipedia:Creatine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24373 ! glycine derivative is_a: CHEBI:24436 ! guanidines relationship: is_conjugate_acid_of CHEBI:66924 ! creatinate relationship: is_tautomer_of CHEBI:57947 ! creatine zwitterion relationship: RO:0000087 CHEBI:176497 ! has role geroprotector relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical relationship: RO:0000087 CHEBI:63726 ! has role neuroprotective agent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CVSVTCORWBXHQV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.13328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.06948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC(O)=O)C(N)=N" xsd:string [Term] id: CHEBI:16958 name: beta-alanine namespace: chebi_ontology alt_id: CHEBI:10343 alt_id: CHEBI:12389 alt_id: CHEBI:22821 alt_id: CHEBI:41050 def: "A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position." [] subset: 3_STAR synonym: "3-aminopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-aminopropanoic acid" RELATED [ChEBI] synonym: "3-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "bAla" RELATED [ChEBI] synonym: "BETA-ALANINE" EXACT [PDBeChem] synonym: "beta-Alanine" EXACT [KEGG_COMPOUND] synonym: "beta-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "beta-aminopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "H-beta-Ala-OH" RELATED [ChEBI] synonym: "omega-aminopropionic acid" RELATED [ChEBI] xref: Beilstein:906793 {source="Beilstein"} xref: CAS:107-95-9 {source="ChemIDplus"} xref: CAS:107-95-9 {source="KEGG COMPOUND"} xref: CAS:107-95-9 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03107 xref: Gmelin:49614 {source="Gmelin"} xref: HMDB:HMDB0000056 xref: KEGG:C00099 xref: KEGG:D07561 xref: KNApSAcK:C00001333 xref: MetaCyc:B-ALANINE xref: PDBeChem:BAL xref: PMID:11139233 {source="Europe PMC"} xref: PMID:11850512 {source="Europe PMC"} xref: PMID:12107759 {source="Europe PMC"} xref: PMID:12887142 {source="Europe PMC"} xref: PMID:14363188 {source="Europe PMC"} xref: PMID:16934791 {source="Europe PMC"} xref: PMID:18528519 {source="Europe PMC"} xref: PMID:18613640 {source="Europe PMC"} xref: PMID:19239140 {source="Europe PMC"} xref: PMID:19955842 {source="Europe PMC"} xref: PMID:20199122 {source="Europe PMC"} xref: PMID:20386120 {source="Europe PMC"} xref: PMID:20479615 {source="Europe PMC"} xref: PMID:20994958 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:906793 {source="Reaxys"} xref: Wikipedia:Beta-Alanine is_a: CHEBI:33706 ! beta-amino acid relationship: is_conjugate_acid_of CHEBI:63070 ! beta-alaninate relationship: is_tautomer_of CHEBI:57966 ! beta-alanine zwitterion relationship: RO:0000087 CHEBI:25512 ! has role neurotransmitter relationship: RO:0000087 CHEBI:35222 ! has role inhibitor relationship: RO:0000087 CHEBI:48705 ! has role agonist relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCMIRNVEIXFBKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCC(O)=O" xsd:string [Term] id: CHEBI:16990 name: bilirubin IXalpha namespace: chebi_ontology alt_id: CHEBI:13898 alt_id: CHEBI:22870 alt_id: CHEBI:3099 def: "A member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin." [] subset: 3_STAR synonym: "1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid" RELATED [ChemIDplus] synonym: "2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid" RELATED [ChemIDplus] synonym: "2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid" RELATED [IUPAC] synonym: "3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione" RELATED [JCBN] synonym: "Bilirubin" RELATED [KEGG_COMPOUND] synonym: "bilirubin" EXACT IUPAC_NAME [IUPAC] synonym: "bilirubin(Z,Z)" RELATED [ChEBI] synonym: "bilirubin-IXalpha" RELATED [ChEBI] xref: Beilstein:74376 {source="Beilstein"} xref: CAS:635-65-4 {source="KEGG COMPOUND"} xref: CAS:635-65-4 {source="ChemIDplus"} xref: Gmelin:411033 {source="Gmelin"} xref: HMDB:HMDB0000054 xref: KEGG:C00486 xref: KNApSAcK:C00029828 xref: MetaCyc:BILIRUBIN xref: PDBeChem:BLR xref: PMID:12799017 {source="Europe PMC"} xref: PMID:18442622 {source="Europe PMC"} xref: PMID:23763371 {source="Europe PMC"} xref: PMID:23768684 {source="Europe PMC"} xref: PMID:30224965 {source="Europe PMC"} xref: PMID:8605219 {source="Europe PMC"} xref: PMID:9587403 {source="Europe PMC"} xref: Reaxys:74376 {source="Reaxys"} xref: Wikipedia:Bilirubin is_a: CHEBI:35692 ! dicarboxylic acid is_a: CHEBI:36735 ! biladienes relationship: has_part CHEBI:142163 ! 24G7 epitope relationship: is_conjugate_acid_of CHEBI:57977 ! bilirubin(2-) relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H36N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BPYKTIZUTYGOLE-IFADSCNNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "584.673" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "584.26348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C=C)\\C(NC1=O)=C\\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\\C=C2/NC(=O)C(C=C)=C2C)N1" xsd:string [Term] id: CHEBI:16995 name: oxalic acid namespace: chebi_ontology alt_id: CHEBI:25730 alt_id: CHEBI:44583 alt_id: CHEBI:7811 def: "An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2." [] subset: 3_STAR synonym: "Ethandisaeure" RELATED [ChEBI] synonym: "ethane-1,2-dioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Ethanedioic acid" RELATED [KEGG_COMPOUND] synonym: "H2ox" RELATED [IUPAC] synonym: "HOOCCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "OXALIC ACID" EXACT [PDBeChem] synonym: "Oxalic acid" EXACT [KEGG_COMPOUND] synonym: "oxalic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Oxalsaeure" RELATED [ChEBI] xref: Beilstein:385686 {source="Beilstein"} xref: CAS:144-62-7 {source="KEGG COMPOUND"} xref: CAS:144-62-7 {source="NIST Chemistry WebBook"} xref: CAS:144-62-7 {source="ChemIDplus"} xref: DrugBank:DB03902 xref: Gmelin:2208 {source="Gmelin"} xref: HMDB:HMDB0002329 xref: KEGG:C00209 xref: KNApSAcK:C00001198 xref: LIPID_MAPS_instance:LMFA01170031 {source="LIPID MAPS"} xref: MetaCyc:OXALATE xref: PDBeChem:OXD xref: PMID:15587083 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:385686 {source="Reaxys"} xref: Wikipedia:Oxalic_acid is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid relationship: is_conjugate_acid_of CHEBI:46904 ! oxalate(1-) relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.03490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.99531" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(O)=O" xsd:string [Term] id: CHEBI:17015 name: riboflavin namespace: chebi_ontology alt_id: CHEBI:15044 alt_id: CHEBI:27299 alt_id: CHEBI:45214 alt_id: CHEBI:529204 alt_id: CHEBI:8843 def: "D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide." [] subset: 3_STAR synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol" EXACT IUPAC_NAME [IUPAC] synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol" RELATED [NIST_Chemistry_WebBook] synonym: "5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol" RELATED [ChEBI] synonym: "6,7-dimethyl-9-D-ribitylisoalloxazine" RELATED [ChemIDplus] synonym: "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione" RELATED [ChEBI] synonym: "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine" RELATED [ChemIDplus] synonym: "7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione" RELATED [IUPAC] synonym: "7,8-dimethyl-10-ribitylisoalloxazine" RELATED [KEGG_COMPOUND] synonym: "Aqua-Flave" RELATED BRAND_NAME [ChemIDplus] synonym: "Beflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "Beflavine" RELATED BRAND_NAME [ChemIDplus] synonym: "Bisulase" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Dermadram" RELATED BRAND_NAME [ChemIDplus] synonym: "E101" RELATED [ChEBI] synonym: "Fiboflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "Flavaxin" RELATED BRAND_NAME [ChemIDplus] synonym: "Flavin Bb" RELATED BRAND_NAME [ChemIDplus] synonym: "Flaxain" RELATED BRAND_NAME [ChemIDplus] synonym: "Hyflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "lactoflavin" RELATED [KEGG_COMPOUND] synonym: "riboflavin" RELATED INN [WHO_MedNet] synonym: "riboflavin (vit B2)" RELATED [DrugCentral] synonym: "riboflavina" RELATED INN [WHO_MedNet] synonym: "riboflavine" RELATED INN [WHO_MedNet] synonym: "riboflavinum" RELATED INN [WHO_MedNet] synonym: "Vitamin B2" RELATED [KEGG_COMPOUND] synonym: "vitamin B2" RELATED [ChEBI] synonym: "vitamin G" RELATED [DrugBank] synonym: "vitasan B2" RELATED [ChemIDplus] xref: Beilstein:97831 {source="Beilstein"} xref: CAS:83-88-5 {source="NIST Chemistry WebBook"} xref: CAS:83-88-5 {source="ChemIDplus"} xref: CAS:83-88-5 {source="KEGG COMPOUND"} xref: Chemspider:431981 xref: Drug_Central:2834 {source="DrugCentral"} xref: DrugBank:DB00140 xref: FooDB:FDB012160 xref: HMDB:HMDB0000244 xref: KEGG:C00255 xref: KEGG:D00050 xref: KNApSAcK:C00001552 xref: LINCS:LSM-4084 xref: MetaCyc:RIBOFLAVIN xref: Patent:US2807611 xref: Patent:US2876169 xref: PDBeChem:RBF xref: PMID:10566553 {source="Europe PMC"} xref: PMID:11399071 {source="Europe PMC"} xref: PMID:11606856 {source="Europe PMC"} xref: PMID:12083520 {source="Europe PMC"} xref: PMID:12354259 {source="Europe PMC"} xref: PMID:12927541 {source="Europe PMC"} xref: PMID:14963913 {source="Europe PMC"} xref: PMID:16273338 {source="Europe PMC"} xref: PMID:16460756 {source="Europe PMC"} xref: PMID:16658098 {source="Europe PMC"} xref: PMID:182198 {source="Europe PMC"} xref: PMID:18832377 {source="Europe PMC"} xref: PMID:19169240 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19854891 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:2369885 {source="Europe PMC"} xref: PMID:23818044 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:24816110 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:25468971 {source="Europe PMC"} xref: PMID:25887755 {source="Europe PMC"} xref: PMID:2631092 {source="Europe PMC"} xref: PMID:29937405 {source="Europe PMC"} xref: PMID:3142982 {source="Europe PMC"} xref: PMID:33154451 {source="Europe PMC"} xref: PMID:33304888 {source="Europe PMC"} xref: PMID:33886098 {source="Europe PMC"} xref: PMID:33892358 {source="Europe PMC"} xref: PMID:34156642 {source="Europe PMC"} xref: PMID:3592624 {source="Europe PMC"} xref: PMID:3878498 {source="Europe PMC"} xref: PMID:4019261 {source="Europe PMC"} xref: PMID:6475825 {source="Europe PMC"} xref: PMID:6546833 {source="Europe PMC"} xref: PMID:6650303 {source="Europe PMC"} xref: PMID:7101408 {source="Europe PMC"} xref: PMID:7883462 {source="Europe PMC"} xref: PMID:8487103 {source="Europe PMC"} xref: PMID:8604671 {source="Europe PMC"} xref: PMID:8678471 {source="Europe PMC"} xref: PMID:8976642 {source="Europe PMC"} xref: PMID:9184778 {source="Europe PMC"} xref: PMID:9808225 {source="Europe PMC"} xref: PMID:9874201 {source="Europe PMC"} xref: Reaxys:97831 {source="Reaxys"} xref: Wikipedia:Riboflavin is_a: CHEBI:176838 ! vitamin B2 is_a: CHEBI:30527 ! flavin relationship: is_conjugate_acid_of CHEBI:57986 ! riboflavin(1-) relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:47868 ! has role photosensitizing agent relationship: RO:0000087 CHEBI:67079 ! has role anti-inflammatory agent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77182 ! has role food colouring relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite relationship: RO:0000087 CHEBI:84087 ! has role human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUNGANRZJHBGPY-SCRDCRAPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "376.369" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "376.13828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1" xsd:string [Term] id: CHEBI:17051 name: fluoride namespace: chebi_ontology alt_id: CHEBI:14271 alt_id: CHEBI:49593 alt_id: CHEBI:5113 subset: 3_STAR synonym: "F(-)" RELATED [IUPAC] synonym: "F-" RELATED [KEGG_COMPOUND] synonym: "Fluoride" EXACT [KEGG_COMPOUND] synonym: "fluoride" EXACT [UniProt] synonym: "fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "FLUORIDE ION" RELATED [PDBeChem] synonym: "Fluoride ion" RELATED [KEGG_COMPOUND] synonym: "fluoride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Fluorine anion" RELATED [NIST_Chemistry_WebBook] xref: CAS:16984-48-8 {source="NIST Chemistry WebBook"} xref: CAS:16984-48-8 {source="ChemIDplus"} xref: Gmelin:14905 {source="Gmelin"} xref: KEGG:C00742 xref: PDBeChem:F is_a: CHEBI:16042 ! halide anion is_a: CHEBI:36895 ! monoatomic fluorine relationship: is_conjugate_base_of CHEBI:29228 ! hydrogen fluoride property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.99840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-]" xsd:string [Term] id: CHEBI:17062 name: primary aliphatic amine namespace: chebi_ontology alt_id: CHEBI:13431 alt_id: CHEBI:8749 subset: 3_STAR synonym: "primary aliphatic amines" RELATED [ChEBI] synonym: "RCH2NH2" RELATED [KEGG_COMPOUND] synonym: "RCH2NH2" RELATED [ChEBI] xref: KEGG:C00375 is_a: CHEBI:32877 ! primary amine relationship: is_conjugate_base_of CHEBI:58001 ! primary aliphatic ammonium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.04920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.03437" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC[*]" xsd:string [Term] id: CHEBI:17087 name: ketone namespace: chebi_ontology alt_id: CHEBI:13427 alt_id: CHEBI:13646 alt_id: CHEBI:24974 alt_id: CHEBI:6127 alt_id: CHEBI:8742 def: "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H)." [] subset: 3_STAR synonym: "a ketone" RELATED [UniProt] synonym: "cetone" RELATED [ChEBI] synonym: "Keton" RELATED [ChEBI] synonym: "Ketone" EXACT [KEGG_COMPOUND] synonym: "ketones" EXACT IUPAC_NAME [IUPAC] synonym: "ketones" RELATED [ChEBI] synonym: "R-CO-R'" RELATED [KEGG_COMPOUND] xref: KEGG:C01450 xref: Wikipedia:Ketone is_a: CHEBI:36586 ! carbonyl compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "COR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C([*])=O" xsd:string [Term] id: CHEBI:17089 name: glycoprotein namespace: chebi_ontology alt_id: CHEBI:14349 alt_id: CHEBI:5481 alt_id: CHEBI:5493 def: "A compound in which a carbohydrate component is covalently bound to a protein component." [] subset: 3_STAR synonym: "a glycoprotein" RELATED [UniProt] synonym: "glicoproteina" RELATED [ChEBI] synonym: "glicoproteinas" RELATED [ChEBI] synonym: "Glycoprotein" EXACT [KEGG_COMPOUND] synonym: "glycoproteine" RELATED [ChEBI] synonym: "glycoproteines" RELATED [ChEBI] synonym: "glycoproteins" EXACT IUPAC_NAME [IUPAC] synonym: "Glykoprotein" RELATED [ChEBI] synonym: "Glykoproteine" RELATED [ChEBI] xref: KEGG:C00326 is_a: CHEBI:33837 ! conjugated protein is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:17115 name: L-serine namespace: chebi_ontology alt_id: CHEBI:13167 alt_id: CHEBI:21387 alt_id: CHEBI:45440 alt_id: CHEBI:45451 alt_id: CHEBI:45590 alt_id: CHEBI:45597 alt_id: CHEBI:45677 alt_id: CHEBI:6301 def: "The L-enantiomer of serine." [] subset: 3_STAR synonym: "(2S)-2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "(S)-(-)-serine" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-amino-3-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-alpha-Amino-beta-hydroxypropionic acid" RELATED [HMDB] synonym: "(S)-serine" RELATED [ChemIDplus] synonym: "beta-Hydroxy-L-alanine" RELATED [HMDB] synonym: "beta-Hydroxyalanine" RELATED [HMDB] synonym: "L-(-)-serine" RELATED [NIST_Chemistry_WebBook] synonym: "L-2-Amino-3-hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-3-Hydroxy-2-aminopropionic acid" RELATED [HMDB] synonym: "L-3-Hydroxy-alanine" RELATED [KEGG_COMPOUND] synonym: "L-Ser" RELATED [DrugBank] synonym: "L-Serin" RELATED [ChEBI] synonym: "L-Serine" EXACT [KEGG_COMPOUND] synonym: "L-serine" EXACT IUPAC_NAME [IUPAC] synonym: "S" RELATED [ChEBI] synonym: "Ser" RELATED [ChEBI] synonym: "SERINE" RELATED [PDBeChem] synonym: "Serine" RELATED [KEGG_COMPOUND] xref: Beilstein:1721404 {source="Beilstein"} xref: CAS:56-45-1 {source="KEGG COMPOUND"} xref: CAS:56-45-1 {source="NIST Chemistry WebBook"} xref: CAS:56-45-1 {source="ChemIDplus"} xref: Drug_Central:4127 {source="DrugCentral"} xref: DrugBank:DB00133 xref: ECMDB:ECMDB00187 xref: Gmelin:2570 {source="Gmelin"} xref: HMDB:HMDB0000187 xref: KEGG:C00065 xref: KEGG:D00016 xref: KNApSAcK:C00001393 xref: MetaCyc:SER xref: PDBeChem:SER xref: PMID:1650428 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:19062365 {source="Europe PMC"} xref: PMID:21956576 {source="Europe PMC"} xref: PMID:22265470 {source="Europe PMC"} xref: PMID:22393170 {source="Europe PMC"} xref: PMID:22547037 {source="Europe PMC"} xref: PMID:22566084 {source="Europe PMC"} xref: PMID:22566694 {source="Europe PMC"} xref: Reaxys:1721404 {source="Reaxys"} xref: Wikipedia:L-serine xref: YMDB:YMDB00112 is_a: CHEBI:17822 ! serine is_a: CHEBI:26650 ! serine family amino acid relationship: is_conjugate_acid_of CHEBI:32836 ! L-serinate relationship: is_conjugate_base_of CHEBI:32837 ! L-serinium relationship: is_enantiomer_of CHEBI:16523 ! D-serine relationship: is_tautomer_of CHEBI:33384 ! L-serine zwitterion relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CO)C(O)=O" xsd:string [Term] id: CHEBI:17120 name: hexanoate namespace: chebi_ontology alt_id: CHEBI:14398 alt_id: CHEBI:24569 def: "A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid)." [] subset: 3_STAR synonym: "1-hexanoate" RELATED [ChEBI] synonym: "1-pentacarboxylate" RELATED [ChEBI] synonym: "1-pentanecarboxylate" RELATED [ChEBI] synonym: "butylacetate" RELATED [ChEBI] synonym: "caproate" RELATED [ChEBI] synonym: "capronate" RELATED [ChEBI] synonym: "CH3-[CH2]4-COO(-)" RELATED [IUPAC] synonym: "hexanoate" EXACT [UniProt] synonym: "hexanoate" EXACT IUPAC_NAME [IUPAC] synonym: "hexoate" RELATED [ChEBI] synonym: "hexylate" RELATED [ChEBI] synonym: "n-caproate" RELATED [ChEBI] synonym: "n-hexanoate" RELATED [ChEBI] synonym: "n-hexoate" RELATED [ChEBI] synonym: "n-hexylate" RELATED [ChEBI] synonym: "nPnCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "pentanecarboxylate" RELATED [ChEBI] synonym: "pentylformate" RELATED [ChEBI] xref: Beilstein:3601453 {source="Beilstein"} xref: CAS:151-33-7 {source="Beilstein"} xref: ECMDB:ECMDB21229 xref: Gmelin:326340 {source="Gmelin"} xref: KEGG:C01585 xref: MetaCyc:HEXANOATE is_a: BFO:0000004 ! independent continuant is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78116 ! fatty acid anion 6:0 relationship: is_conjugate_base_of CHEBI:30776 ! hexanoic acid relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUZZWVXGSFPDMH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.15034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.07645" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC([O-])=O" xsd:string [Term] id: CHEBI:17126 name: carnitine namespace: chebi_ontology alt_id: CHEBI:11817 alt_id: CHEBI:13947 alt_id: CHEBI:20047 alt_id: CHEBI:23038 def: "An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4." [] subset: 3_STAR synonym: "3-hydroxy-4-(trimethylammonio)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "carnitine" EXACT [UniProt] synonym: "D,L-carnitine" RELATED [MetaCyc] xref: Beilstein:1866665 {source="Beilstein"} xref: CAS:461-06-3 {source="ChemIDplus"} xref: DrugBank:DB02648 xref: KEGG:C00487 xref: MetaCyc:DL-CARNITINE xref: Patent:US4255449 xref: Patent:US4315944 xref: PMID:22770225 {source="Europe PMC"} xref: PMID:23868375 {source="Europe PMC"} xref: Reaxys:1866665 {source="Reaxys"} xref: Wikipedia:Carnitine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22860 ! amino-acid betaine relationship: has_functional_parent CHEBI:17968 ! butyrate relationship: is_conjugate_base_of CHEBI:3424 ! carnitinium relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H15NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHIQHXFUZVPYII-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "161.19894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "161.10519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CC(O)CC([O-])=O" xsd:string [Term] id: CHEBI:17137 name: hydrogensulfite namespace: chebi_ontology alt_id: CHEBI:13367 alt_id: CHEBI:5598 subset: 3_STAR synonym: "[SO2(OH)](-)" RELATED [IUPAC] synonym: "Bisulfite" RELATED [KEGG_COMPOUND] synonym: "bisulfite" RELATED [ChemIDplus] synonym: "bisulphite" RELATED [ChemIDplus] synonym: "HSO3(-)" RELATED [IUPAC] synonym: "HSO3-" RELATED [KEGG_COMPOUND] synonym: "Hydrogen sulfite" RELATED [KEGG_COMPOUND] synonym: "hydrogen sulfite(1-)" RELATED [ChemIDplus] synonym: "hydrogen(trioxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfite(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrosulfite anion" RELATED [ChemIDplus] synonym: "hydroxidodioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "monohydrogentrioxosulfate" EXACT IUPAC_NAME [IUPAC] xref: CAS:15181-46-1 {source="KEGG COMPOUND"} xref: CAS:15181-46-1 {source="ChemIDplus"} xref: Gmelin:1455 {source="Gmelin"} xref: KEGG:C11481 xref: PDBeChem:SO3 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_acid_of CHEBI:17359 ! sulfite relationship: is_conjugate_base_of CHEBI:48854 ! sulfurous acid relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS([O-])=O" xsd:string [Term] id: CHEBI:1722 name: 3beta-hydroxy-Delta(5)-steroid namespace: chebi_ontology alt_id: CHEBI:13608 alt_id: CHEBI:136845 alt_id: CHEBI:20245 def: "Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6." [] subset: 3_STAR synonym: "3beta-hydroxy Delta(5)-steroids" RELATED [ChEBI] synonym: "3beta-hydroxy-Delta(5)-steroids" RELATED [ChEBI] synonym: "a 3beta-hydroxy-Delta(5)-steroid" RELATED [UniProt] xref: KEGG:C03836 xref: MetaCyc:3b-hydroxy-D5-steroids is_a: CHEBI:36836 ! 3beta-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H29OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.22184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CC=C4C2(CC[C@@H](C4)O)C" xsd:string [Term] id: CHEBI:17234 name: glucose namespace: chebi_ontology alt_id: CHEBI:14313 alt_id: CHEBI:24277 alt_id: CHEBI:33929 alt_id: CHEBI:5418 def: "An aldohexose used as a source of energy and metabolic intermediate." [] subset: 3_STAR synonym: "DL-glucose" RELATED [ChEBI] synonym: "Glc" RELATED [JCBN] synonym: "gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Glucose" EXACT [KEGG_COMPOUND] synonym: "glucose" EXACT IUPAC_NAME [IUPAC] synonym: "Glukose" RELATED [ChEBI] xref: CAS:50-99-7 {source="KEGG COMPOUND"} xref: KEGG:C00293 xref: Wikipedia:Glucose is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33917 ! aldohexose relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:17272 name: propionate namespace: chebi_ontology alt_id: CHEBI:14903 alt_id: CHEBI:26290 def: "The conjugate base of propionic acid; a key precursor in lipid biosynthesis." [] subset: 3_STAR synonym: "carboxylatoethane" RELATED [ChEBI] synonym: "CH3-CH2-COO(-)" RELATED [IUPAC] synonym: "EtCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "ethanecarboxylate" RELATED [ChEBI] synonym: "ethylformate" RELATED [ChEBI] synonym: "metacetonate" RELATED [ChEBI] synonym: "methylacetate" RELATED [ChEBI] synonym: "propanate" RELATED [ChEBI] synonym: "propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "propanoate" RELATED [UniProt] synonym: "propanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "propionate" EXACT [IUPAC] synonym: "pseudoacetate" RELATED [ChEBI] xref: Beilstein:3587503 {source="Beilstein"} xref: CAS:72-03-7 {source="NIST Chemistry WebBook"} xref: CAS:72-03-7 {source="ChemIDplus"} xref: Gmelin:1820 {source="Gmelin"} xref: KEGG:C00163 xref: PMID:17951291 {source="Europe PMC"} xref: PMID:18375549 {source="Europe PMC"} xref: PMID:2647392 {source="Europe PMC"} xref: UM-BBD_compID:c0277 {source="UM-BBD"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:78113 ! fatty acid anion 3:0 relationship: is_conjugate_base_of CHEBI:30768 ! propionic acid relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC([O-])=O" xsd:string [Term] id: CHEBI:17287 name: N-phosphocreatine namespace: chebi_ontology alt_id: CHEBI:12526 alt_id: CHEBI:14813 alt_id: CHEBI:26053 alt_id: CHEBI:8145 def: "A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group." [] subset: 3_STAR synonym: "Creatine phosphate" RELATED [KEGG_COMPOUND] synonym: "Creatine phosphic acid" RELATED [HMDB] synonym: "N(omega)-phosphonocreatine" RELATED [CBN] synonym: "N-(N-phosphonoamido)sarcosine" RELATED [CBN] synonym: "N-(Phosphonoamidino)sarcosine" RELATED [HMDB] synonym: "N-[imino(phosphonoamino)methyl]-N-methylglycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-Phosphocreatine" EXACT [KEGG_COMPOUND] synonym: "N-phosphocreatine" EXACT [ChEBI] synonym: "N-Phosphorylcreatine" RELATED [HMDB] synonym: "Phosphocreatine" RELATED [KEGG_COMPOUND] synonym: "phosphorylcreatine" RELATED [HMDB] synonym: "{[imino(phosphonoamino)methyl](methyl)amino}acetic acid" RELATED [ChEBI] xref: Beilstein:1797096 {source="Beilstein"} xref: CAS:67-07-2 {source="KEGG COMPOUND"} xref: CAS:67-07-2 {source="ChemIDplus"} xref: Drug_Central:3464 {source="DrugCentral"} xref: HMDB:HMDB0001511 xref: KEGG:C02305 xref: MetaCyc:CREATINE-P xref: PMID:1160340 {source="Europe PMC"} xref: PMID:11867929 {source="Europe PMC"} xref: PMID:13772879 {source="Europe PMC"} xref: PMID:13881337 {source="Europe PMC"} xref: PMID:14421251 {source="Europe PMC"} xref: PMID:5879486 {source="Europe PMC"} xref: Reaxys:1797096 {source="Reaxys"} xref: Wikipedia:Phosphocreatine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26051 ! phosphoamino acid is_a: CHEBI:64618 ! phosphagen relationship: has_functional_parent CHEBI:16919 ! creatine relationship: is_conjugate_acid_of CHEBI:58092 ! N-phosphocreatinate(2-) relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N3O5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRBBFCLWYRJSJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.11318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.03581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC(O)=O)C(=N)NP(O)(O)=O" xsd:string [Term] id: CHEBI:173084 name: ferroptosis inhibitor namespace: chebi_ontology def: "Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms." [] subset: 3_STAR synonym: "ferroptosis inhibitors" RELATED [ChEBI] xref: PMID:32015325 {source="SUBMITTER"} xref: PMID:32256352 {source="Europe PMC"} xref: PMID:32413317 {source="Europe PMC"} xref: PMID:33495651 {source="Europe PMC"} xref: Wikipedia:Ferroptosis is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:173085 name: ferroptosis inducer namespace: chebi_ontology def: "Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms." [] subset: 3_STAR synonym: "ferroptosis inducers" RELATED [ChEBI] xref: PMID:31899616 {source="Europe PMC"} xref: PMID:32015325 {source="SUBMITTER"} xref: PMID:33167414 {source="Europe PMC"} xref: PMID:34012798 {source="Europe PMC"} xref: Wikipedia:Ferroptosis is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:17310 name: pyridoxal namespace: chebi_ontology alt_id: CHEBI:14976 alt_id: CHEBI:26423 alt_id: CHEBI:45112 alt_id: CHEBI:8667 def: "A pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid." [] subset: 3_STAR synonym: "3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE" RELATED [PDBeChem] synonym: "3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Pyridoxal" EXACT [KEGG_COMPOUND] synonym: "pyridoxal" EXACT [UniProt] synonym: "pyridoxaldehyde" RELATED [ChemIDplus] xref: Beilstein:383768 {source="Beilstein"} xref: CAS:66-72-8 {source="ChemIDplus"} xref: CAS:66-72-8 {source="KEGG COMPOUND"} xref: Chemspider:1021 xref: Drug_Central:4134 {source="DrugCentral"} xref: DrugBank:DB00147 xref: Gmelin:218674 {source="Gmelin"} xref: HMDB:HMDB0001545 xref: KEGG:C00250 xref: KNApSAcK:C00007509 xref: MetaCyc:PYRIDOXAL xref: PDBeChem:PXL xref: PMID:12001008 {source="Europe PMC"} xref: PMID:150790 {source="Europe PMC"} xref: PMID:1621875 {source="Europe PMC"} xref: PMID:16495081 {source="Europe PMC"} xref: PMID:16710308 {source="Europe PMC"} xref: PMID:17765195 {source="Europe PMC"} xref: PMID:20381632 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:23801094 {source="Europe PMC"} xref: PMID:24365359 {source="Europe PMC"} xref: PMID:31915818 {source="Europe PMC"} xref: PMID:3663392 {source="Europe PMC"} xref: PMID:4051187 {source="Europe PMC"} xref: PMID:433818 {source="Europe PMC"} xref: PMID:6853710 {source="Europe PMC"} xref: PMID:7159754 {source="Europe PMC"} xref: PMID:7440576 {source="Europe PMC"} xref: PMID:8116826 {source="Europe PMC"} xref: Reaxys:383768 {source="Reaxys"} xref: Wikipedia:Pyridoxal is_a: CHEBI:25340 ! methylpyridines is_a: CHEBI:27306 ! vitamin B6 is_a: CHEBI:38182 ! monohydroxypyridine is_a: CHEBI:38187 ! pyridinecarbaldehyde is_a: CHEBI:38196 ! hydroxymethylpyridine relationship: is_conjugate_base_of CHEBI:131530 ! pyridoxal(1+) relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RADKZDMFGJYCBB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.16200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)c1c(CO)cnc(C)c1O" xsd:string [Term] id: CHEBI:17334 name: penicillin namespace: chebi_ontology alt_id: CHEBI:14742 alt_id: CHEBI:25869 alt_id: CHEBI:7961 def: "Any member of the group of substituted penams containing two methyl substituents at position 2, a carboxylate substituent at position 3 and a carboxamido group at position 6." [] subset: 3_STAR synonym: "Penicillin" EXACT [KEGG_COMPOUND] synonym: "penicillins" EXACT IUPAC_NAME [IUPAC] synonym: "penicillins" RELATED [ChEBI] xref: KEGG:C00395 xref: PMID:11851248 {source="Europe PMC"} xref: PMID:12833570 {source="Europe PMC"} xref: PMID:1502708 {source="Europe PMC"} xref: PMID:16033609 {source="Europe PMC"} xref: PMID:7061385 {source="Europe PMC"} xref: PMID:7798534 {source="Europe PMC"} xref: Wikipedia:Penicillin is_a: CHEBI:25865 ! penicillanic acids relationship: has_functional_parent CHEBI:16705 ! 6-aminopenicillanic acid relationship: is_conjugate_acid_of CHEBI:51356 ! penicillinate anion relationship: RO:0000087 CHEBI:50904 ! has role allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11N2O4SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "243.26000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.04395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O" xsd:string [Term] id: CHEBI:17359 name: sulfite namespace: chebi_ontology alt_id: CHEBI:15139 alt_id: CHEBI:45548 def: "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3)." [] subset: 3_STAR synonym: "[SO3](2-)" RELATED [IUPAC] synonym: "SO3" RELATED [ChEBI] synonym: "SO3(2-)" RELATED [IUPAC] synonym: "sulfite" EXACT IUPAC_NAME [IUPAC] synonym: "sulfite" EXACT [UniProt] synonym: "SULFITE ION" RELATED [PDBeChem] synonym: "sulphite" RELATED [ChEBI] synonym: "trioxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14265-45-3 {source="ChemIDplus"} xref: Gmelin:1449 {source="Gmelin"} xref: PDBeChem:SO3 is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:17137 ! hydrogensulfite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])=O" xsd:string [Term] id: CHEBI:17418 name: valeric acid namespace: chebi_ontology alt_id: CHEBI:113448 alt_id: CHEBI:27263 alt_id: CHEBI:27264 alt_id: CHEBI:43606 alt_id: CHEBI:44803 alt_id: CHEBI:7980 def: "A straight-chain saturated fatty acid containing five carbon atoms." [] subset: 3_STAR synonym: "1-butanecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "1-butanecarboxylic acid" RELATED [ChemIDplus] synonym: "CH3-[CH2]3-COOH" RELATED [IUPAC] synonym: "n-BuCOOH" RELATED [ChEBI] synonym: "n-Pentanoate" RELATED [KEGG_COMPOUND] synonym: "n-pentanoic acid" RELATED [ChemIDplus] synonym: "n-Valeric acid" RELATED [KEGG_COMPOUND] synonym: "n-valeric acid" RELATED [ChemIDplus] synonym: "Pentanoate" RELATED [KEGG_COMPOUND] synonym: "PENTANOIC ACID" RELATED [PDBeChem] synonym: "Pentanoic acid" RELATED [KEGG_COMPOUND] synonym: "pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pentoic acid" RELATED [ChEBI] synonym: "propylacetic acid" RELATED [ChemIDplus] synonym: "Valerate" RELATED [KEGG_COMPOUND] synonym: "Valerianic acid" RELATED [KEGG_COMPOUND] synonym: "Valeriansaeure" RELATED [ChEBI] synonym: "Valeric acid" EXACT [KEGG_COMPOUND] synonym: "valeric acid, normal" RELATED [ChemIDplus] xref: Beilstein:969454 {source="Beilstein"} xref: CAS:109-52-4 {source="ChemIDplus"} xref: CAS:109-52-4 {source="NIST Chemistry WebBook"} xref: CAS:109-52-4 {source="KEGG COMPOUND"} xref: DrugBank:DB02406 xref: Gmelin:26714 {source="Gmelin"} xref: HMDB:HMDB0000892 xref: KEGG:C00803 xref: KNApSAcK:C00001208 xref: LIPID_MAPS_instance:LMFA01010005 {source="LIPID MAPS"} xref: PDBeChem:LEA xref: PMID:20507156 {source="Europe PMC"} xref: PPDB:3130 xref: Reaxys:969454 {source="Reaxys"} xref: Wikipedia:Valeric_acid is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: is_conjugate_acid_of CHEBI:31011 ! valerate relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(O)=O" xsd:string [Term] id: CHEBI:17439 name: cyanocob(III)alamin namespace: chebi_ontology alt_id: CHEBI:14041 alt_id: CHEBI:23435 alt_id: CHEBI:3979 alt_id: CHEBI:48820 alt_id: CHEBI:60496 def: "A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12." [] subset: 3_STAR synonym: "CN-Cbl" RELATED [CBN] synonym: "CO-CYANOCOBALAMIN" RELATED [PDBeChem] synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide" EXACT IUPAC_NAME [IUPAC] synonym: "Cyanocob(III)alamin" EXACT [KEGG_COMPOUND] synonym: "cyanocob(III)alamin" EXACT [UniProt] synonym: "cyanocob(III)alamin" EXACT IUPAC_NAME [IUPAC] synonym: "cyanocobalamin" RELATED INN [KEGG_DRUG] synonym: "Dicopac" RELATED [KEGG_COMPOUND] synonym: "vitamin B-12" RELATED [CBN] synonym: "Vitamin B12 complex" RELATED [KEGG_COMPOUND] xref: CAS:68-19-9 {source="ChemIDplus"} xref: CAS:68-19-9 {source="KEGG COMPOUND"} xref: DrugBank:DB00115 xref: Gmelin:249901 {source="Gmelin"} xref: Gmelin:457955 {source="Gmelin"} xref: KEGG:C02823 xref: KEGG:D00166 xref: KNApSAcK:C00001534 xref: PDBeChem:CNC xref: PMID:29286160 {source="Europe PMC"} is_a: CHEBI:140785 ! R-cob(III)alamin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C63H88CoN14O14P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMRCNWBMXRMIRW-WZHZPDAFSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1355.36520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1354.56740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O" xsd:string [Term] id: CHEBI:17478 name: aldehyde namespace: chebi_ontology alt_id: CHEBI:13432 alt_id: CHEBI:13753 alt_id: CHEBI:13805 alt_id: CHEBI:13806 alt_id: CHEBI:22291 alt_id: CHEBI:2554 alt_id: CHEBI:8750 def: "A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group." [] subset: 3_STAR synonym: "aldehido" RELATED [ChEBI] synonym: "aldehidos" RELATED [ChEBI] synonym: "Aldehyd" RELATED [ChEBI] synonym: "Aldehyde" EXACT [KEGG_COMPOUND] synonym: "aldehyde" EXACT [ChEBI] synonym: "aldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" RELATED [ChEBI] synonym: "aldehydum" RELATED [ChEBI] synonym: "an aldehyde" RELATED [UniProt] synonym: "RC(=O)H" RELATED [IUPAC] synonym: "RCHO" RELATED [KEGG_COMPOUND] xref: KEGG:C00071 is_a: CHEBI:36586 ! carbonyl compound relationship: has_part CHEBI:42485 ! formyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([*])=O" xsd:string [Term] id: CHEBI:17522 name: alditol namespace: chebi_ontology alt_id: CHEBI:13754 alt_id: CHEBI:22298 alt_id: CHEBI:2556 def: "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)." [] subset: 3_STAR synonym: "Alditol" EXACT [KEGG_COMPOUND] synonym: "alditol" EXACT [UniProt] synonym: "alditols" RELATED [ChEBI] synonym: "Glycitol" RELATED [KEGG_COMPOUND] synonym: "Sugar alcohol" RELATED [KEGG_COMPOUND] xref: KEGG:C00717 xref: Wikipedia:Glycerin is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(CH2O)nC2H6O2" xsd:string [Term] id: CHEBI:17544 name: hydrogencarbonate namespace: chebi_ontology alt_id: CHEBI:13363 alt_id: CHEBI:22863 alt_id: CHEBI:40961 alt_id: CHEBI:5589 def: "The carbon oxoanion resulting from the removal of a proton from carbonic acid." [] subset: 3_STAR synonym: "[CO2(OH)](-)" RELATED [IUPAC] synonym: "Acid carbonate" RELATED [KEGG_COMPOUND] synonym: "Bicarbonate" RELATED [KEGG_COMPOUND] synonym: "BICARBONATE ION" RELATED [PDBeChem] synonym: "HCO3(-)" RELATED [IUPAC] synonym: "HCO3-" RELATED [KEGG_COMPOUND] synonym: "hydrogen carbonate" RELATED [PDBeChem] synonym: "hydrogen(trioxidocarbonate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogencarbonate" EXACT [KEGG_COMPOUND] synonym: "hydrogencarbonate" EXACT [UniProt] synonym: "hydrogencarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogencarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxocarbonate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903504 {source="Beilstein"} xref: CAS:71-52-3 {source="ChemIDplus"} xref: Gmelin:49249 {source="Gmelin"} xref: HMDB:HMDB0000595 xref: KEGG:C00288 xref: MetaCyc:HCO3 xref: PDBeChem:BCT xref: PMID:17215880 {source="Europe PMC"} xref: PMID:17505962 {source="Europe PMC"} xref: PMID:18439416 {source="Europe PMC"} xref: PMID:28732801 {source="Europe PMC"} xref: PMID:29150416 {source="Europe PMC"} xref: PMID:29460248 {source="Europe PMC"} xref: PMID:29466234 {source="Europe PMC"} xref: PMID:4208463 {source="Europe PMC"} xref: Wikipedia:Bicarbonate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35604 ! carbon oxoanion relationship: is_conjugate_acid_of CHEBI:41609 ! carbonate relationship: is_conjugate_base_of CHEBI:28976 ! carbonic acid relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.01684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.99312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([O-])=O" xsd:string [Term] id: CHEBI:17561 name: L-cysteine namespace: chebi_ontology alt_id: CHEBI:13095 alt_id: CHEBI:21261 alt_id: CHEBI:41227 alt_id: CHEBI:41700 alt_id: CHEBI:41768 alt_id: CHEBI:41781 alt_id: CHEBI:41811 alt_id: CHEBI:6207 def: "An optically active form of cysteine having L-configuration." [] subset: 3_STAR synonym: "(2R)-2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "(2R)-2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(R)-2-amino-3-mercaptopropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "CYSTEINE" RELATED [PDBeChem] synonym: "E 920" RELATED [ChEBI] synonym: "E-920" RELATED [ChEBI] synonym: "E920" RELATED [ChEBI] synonym: "FREE CYSTEINE" RELATED [PDBeChem] synonym: "L-2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-Cystein" RELATED [ChEBI] synonym: "L-Cysteine" EXACT [KEGG_COMPOUND] synonym: "L-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "L-Zystein" RELATED [ChEBI] xref: Beilstein:1721408 {source="Beilstein"} xref: CAS:52-90-4 {source="ChemIDplus"} xref: CAS:52-90-4 {source="NIST Chemistry WebBook"} xref: CAS:52-90-4 {source="KEGG COMPOUND"} xref: Drug_Central:769 {source="DrugCentral"} xref: DrugBank:DB00151 xref: ECMDB:ECMDB00574 xref: Gmelin:49991 {source="Gmelin"} xref: HMDB:HMDB0000574 xref: KEGG:C00097 xref: KEGG:D00026 xref: KNApSAcK:C00001351 xref: MetaCyc:CYS xref: PDBeChem:CYS xref: PMID:11732994 {source="Europe PMC"} xref: PMID:13761469 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:1721408 {source="Reaxys"} xref: Wikipedia:Cysteine xref: YMDB:YMDB00046 is_a: CHEBI:15356 ! cysteine is_a: CHEBI:26650 ! serine family amino acid relationship: is_conjugate_acid_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32445 ! L-cysteinium relationship: is_enantiomer_of CHEBI:16375 ! D-cysteine relationship: is_tautomer_of CHEBI:35235 ! L-cysteine zwitterion relationship: RO:0000087 CHEBI:64577 ! has role flour treatment agent relationship: RO:0000087 CHEBI:77703 ! has role EC 4.3.1.3 (histidine ammonia-lyase) inhibitor relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:17568 name: uracil namespace: chebi_ontology alt_id: CHEBI:15288 alt_id: CHEBI:27210 alt_id: CHEBI:46375 alt_id: CHEBI:9882 def: "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." [] subset: 3_STAR synonym: "2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-Dioxopyrimidine" RELATED [HMDB] synonym: "2,4-Pyrimidinedione" RELATED [HMDB] synonym: "pyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "U" RELATED [ChEBI] synonym: "Ura" RELATED [CBN] synonym: "URACIL" EXACT [PDBeChem] synonym: "Uracil" EXACT [KEGG_COMPOUND] synonym: "uracil" EXACT [UniProt] synonym: "Urazil" RELATED [ChEBI] xref: Beilstein:606623 {source="Beilstein"} xref: CAS:66-22-8 {source="NIST Chemistry WebBook"} xref: CAS:66-22-8 {source="KEGG COMPOUND"} xref: CAS:66-22-8 {source="ChemIDplus"} xref: DrugBank:DB03419 xref: Gmelin:2896 {source="Gmelin"} xref: HMDB:HMDB0000300 xref: KEGG:C00106 xref: KEGG:D00027 xref: KNApSAcK:C00001513 xref: MetaCyc:URACIL xref: PDBeChem:URA xref: PMID:11279060 {source="Europe PMC"} xref: PMID:12855717 {source="Europe PMC"} xref: PMID:15274295 {source="Europe PMC"} xref: PMID:16834123 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:18533995 {source="Europe PMC"} xref: PMID:18815805 {source="Europe PMC"} xref: PMID:19175333 {source="Europe PMC"} xref: PMID:22020693 {source="Europe PMC"} xref: PMID:22074393 {source="Europe PMC"} xref: PMID:22120518 {source="Europe PMC"} xref: PMID:22171528 {source="Europe PMC"} xref: PMID:22237209 {source="Europe PMC"} xref: PMID:22299724 {source="Europe PMC"} xref: PMID:22356544 {source="Europe PMC"} xref: PMID:22447672 {source="Europe PMC"} xref: PMID:22483865 {source="Europe PMC"} xref: PMID:22567906 {source="Europe PMC"} xref: PMID:22685418 {source="Europe PMC"} xref: PMID:3654008 {source="Europe PMC"} xref: Reaxys:606623 {source="Reaxys"} xref: Wikipedia:Uracil is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26432 ! pyrimidine nucleobase is_a: CHEBI:38337 ! pyrimidone relationship: is_tautomer_of CHEBI:43254 ! (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one relationship: RO:0000087 CHEBI:50266 ! has role prodrug relationship: RO:0000087 CHEBI:50904 ! has role allergen relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISAKRJDGNUQOIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.08684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.02728" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1cc[nH]c(=O)[nH]1" xsd:string [Term] id: CHEBI:17578 name: toluene namespace: chebi_ontology alt_id: CHEBI:15248 alt_id: CHEBI:27022 alt_id: CHEBI:44023 alt_id: CHEBI:9624 def: "The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent." [] subset: 3_STAR synonym: "methylbenzene" RELATED [PDBeChem] synonym: "phenylmethane" RELATED [ChemIDplus] synonym: "Toluen" RELATED [NIST_Chemistry_WebBook] synonym: "TOLUENE" EXACT [PDBeChem] synonym: "Toluene" EXACT [KEGG_COMPOUND] synonym: "toluene" EXACT [ChEBI] synonym: "toluene" EXACT [UniProt] synonym: "toluene" EXACT IUPAC_NAME [IUPAC] synonym: "Toluol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:635760 {source="Beilstein"} xref: CAS:108-88-3 {source="KEGG COMPOUND"} xref: CAS:108-88-3 {source="NIST Chemistry WebBook"} xref: CAS:108-88-3 {source="ChemIDplus"} xref: DrugBank:DB01900 xref: Gmelin:2456 {source="Gmelin"} xref: KEGG:C01455 xref: PDBeChem:MBN xref: PMID:11182169 {source="Europe PMC"} xref: PMID:11314682 {source="Europe PMC"} xref: PMID:11846266 {source="Europe PMC"} xref: PMID:11991009 {source="Europe PMC"} xref: PMID:12062755 {source="Europe PMC"} xref: PMID:12213539 {source="Europe PMC"} xref: PMID:12237258 {source="Europe PMC"} xref: PMID:12784113 {source="Europe PMC"} xref: PMID:12876426 {source="Europe PMC"} xref: PMID:14512097 {source="Europe PMC"} xref: PMID:14559343 {source="Europe PMC"} xref: PMID:14605898 {source="Europe PMC"} xref: PMID:15015825 {source="Europe PMC"} xref: PMID:15019953 {source="Europe PMC"} xref: PMID:15119846 {source="Europe PMC"} xref: PMID:15193425 {source="Europe PMC"} xref: PMID:15542760 {source="Europe PMC"} xref: PMID:15567510 {source="Europe PMC"} xref: PMID:15695158 {source="Europe PMC"} xref: PMID:15796064 {source="Europe PMC"} xref: PMID:16316648 {source="Europe PMC"} xref: PMID:16348226 {source="Europe PMC"} xref: PMID:16601996 {source="Europe PMC"} xref: PMID:17145141 {source="Europe PMC"} xref: PMID:17175136 {source="Europe PMC"} xref: PMID:17497535 {source="Europe PMC"} xref: PMID:17725881 {source="Europe PMC"} xref: PMID:18397809 {source="Europe PMC"} xref: PMID:18832024 {source="Europe PMC"} xref: PMID:19261054 {source="Europe PMC"} xref: PMID:19384711 {source="Europe PMC"} xref: PMID:19429395 {source="Europe PMC"} xref: PMID:19635754 {source="Europe PMC"} xref: PMID:19765629 {source="Europe PMC"} xref: PMID:19825861 {source="Europe PMC"} xref: PMID:19928203 {source="Europe PMC"} xref: PMID:19969016 {source="Europe PMC"} xref: PMID:20347282 {source="Europe PMC"} xref: PMID:20837561 {source="Europe PMC"} xref: PMID:21430649 {source="Europe PMC"} xref: PMID:21655021 {source="Europe PMC"} xref: PMID:21731073 {source="Europe PMC"} xref: PMID:21802510 {source="Europe PMC"} xref: PMID:21840036 {source="Europe PMC"} xref: Reaxys:635760 {source="Reaxys"} xref: UM-BBD_compID:c0114 {source="UM-BBD"} xref: Wikipedia:Toluene is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:27024 ! toluenes is_a: CHEBI:38975 ! methylbenzene relationship: RO:0000087 CHEBI:48355 ! has role non-polar solvent relationship: RO:0000087 CHEBI:48873 ! has role cholinergic antagonist relationship: RO:0000087 CHEBI:50910 ! has role neurotoxin relationship: RO:0000087 CHEBI:62803 ! has role fuel additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXFVVABEGXRONW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.13842" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1" xsd:string [Term] id: CHEBI:17579 name: beta-carotene namespace: chebi_ontology alt_id: CHEBI:10355 alt_id: CHEBI:12392 alt_id: CHEBI:22834 alt_id: CHEBI:40987 def: "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." [] subset: 3_STAR synonym: "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)" RELATED [ChEBI] synonym: "all-trans-beta-carotene" RELATED [NIST_Chemistry_WebBook] synonym: "all-trans-beta-carotene" RELATED [UniProt] synonym: "beta,beta-carotene" EXACT IUPAC_NAME [IUPAC] synonym: "BETA-CAROTENE" EXACT [PDBeChem] synonym: "beta-Carotene" EXACT [KEGG_COMPOUND] synonym: "beta-Karotin" RELATED [ChEBI] xref: Beilstein:1917416 {source="Beilstein"} xref: CAS:7235-40-7 {source="ChemIDplus"} xref: CAS:7235-40-7 {source="NIST Chemistry WebBook"} xref: CAS:7235-40-7 {source="KEGG COMPOUND"} xref: COMe:MOL000093 xref: Drug_Central:345 {source="DrugCentral"} xref: HMDB:HMDB0000561 xref: KEGG:C02094 xref: KEGG:D03101 xref: KNApSAcK:C00000919 xref: LIPID_MAPS_instance:LMPR01070000 {source="LIPID MAPS"} xref: LIPID_MAPS_instance:LMPR01070001 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-129 xref: PDBeChem:BCR xref: PMID:11171227 {source="Europe PMC"} xref: PMID:11182771 {source="Europe PMC"} xref: PMID:11332447 {source="Europe PMC"} xref: PMID:11359610 {source="Europe PMC"} xref: PMID:11382814 {source="Europe PMC"} xref: PMID:11567548 {source="Europe PMC"} xref: PMID:11677037 {source="Europe PMC"} xref: PMID:11714348 {source="Europe PMC"} xref: PMID:11962062 {source="Europe PMC"} xref: PMID:12081834 {source="Europe PMC"} xref: PMID:12891827 {source="Europe PMC"} xref: PMID:14658721 {source="Europe PMC"} xref: PMID:14764912 {source="Europe PMC"} xref: PMID:14976384 {source="Europe PMC"} xref: PMID:14997360 {source="Europe PMC"} xref: PMID:15113067 {source="Europe PMC"} xref: PMID:15333155 {source="Europe PMC"} xref: PMID:15695449 {source="Europe PMC"} xref: PMID:15789045 {source="Europe PMC"} xref: PMID:15909543 {source="Europe PMC"} xref: PMID:15949680 {source="Europe PMC"} xref: PMID:15949683 {source="Europe PMC"} xref: PMID:16036331 {source="Europe PMC"} xref: PMID:16087476 {source="Europe PMC"} xref: PMID:16338959 {source="Europe PMC"} xref: PMID:16563447 {source="Europe PMC"} xref: PMID:17004738 {source="Europe PMC"} xref: PMID:17625873 {source="Europe PMC"} xref: PMID:17708644 {source="Europe PMC"} xref: PMID:17851775 {source="Europe PMC"} xref: PMID:18429004 {source="Europe PMC"} xref: PMID:18766464 {source="Europe PMC"} xref: PMID:18767554 {source="Europe PMC"} xref: PMID:18794175 {source="Europe PMC"} xref: PMID:19480350 {source="Europe PMC"} xref: PMID:19574250 {source="Europe PMC"} xref: PMID:19669835 {source="Europe PMC"} xref: PMID:19703237 {source="Europe PMC"} xref: PMID:19852884 {source="Europe PMC"} xref: PMID:19888275 {source="Europe PMC"} xref: PMID:19896667 {source="Europe PMC"} xref: PMID:19937581 {source="Europe PMC"} xref: PMID:20074992 {source="Europe PMC"} xref: PMID:20515074 {source="Europe PMC"} xref: PMID:22079732 {source="Europe PMC"} xref: PMID:22309480 {source="Europe PMC"} xref: PMID:22428124 {source="Europe PMC"} xref: PMID:22489215 {source="Europe PMC"} xref: PMID:22534340 {source="Europe PMC"} xref: PMID:22575730 {source="Europe PMC"} xref: Reaxys:1917416 {source="Reaxys"} xref: Wikipedia:Beta_Carotene is_a: BFO:0000004 ! independent continuant is_a: CHEBI:139120 ! carotenoid beta-end derivative is_a: CHEBI:35163 ! cyclic carotene relationship: RO:0000087 CHEBI:173084 ! has role ferroptosis inhibitor relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:26130 ! has role biological pigment relationship: RO:0000087 CHEBI:67200 ! has role provitamin A relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OENHQHLEOONYIE-JLTXGRSLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "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" xsd:string [Term] id: CHEBI:176497 name: geroprotector namespace: chebi_ontology def: "Any compound that supports healthy aging, slows the biological aging process, or extends lifespan." [] subset: 3_STAR synonym: "anti-aging agent" RELATED [ChEBI] synonym: "anti-aging agents" RELATED [ChEBI] synonym: "anti-aging drug" RELATED [ChEBI] synonym: "anti-aging drugs" RELATED [ChEBI] synonym: "geroprotective agent" RELATED [ChEBI] synonym: "geroprotective agents" RELATED [ChEBI] synonym: "geroprotectors" RELATED [ChEBI] xref: PMID:23372317 {source="Europe PMC"} xref: PMID:28580190 {source="Europe PMC"} xref: PMID:30885572 {source="Europe PMC"} xref: PMID:33144142 {source="Europe PMC"} xref: PMID:33973253 {source="Europe PMC"} xref: PMID:34606237 {source="Europe PMC"} xref: Wikipedia:Geroprotector is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:176783 name: vitamin C namespace: chebi_ontology alt_id: CHEBI:21241 def: "Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms." [] subset: 3_STAR synonym: "Vitamin C" EXACT [ChEBI] synonym: "vitamin C vitamer" RELATED [ChEBI] synonym: "vitamin C vitamers" RELATED [ChEBI] synonym: "vitamina C" RELATED [ChEBI] synonym: "vitamine C" RELATED [ChEBI] synonym: "vitaminum C" RELATED [ChEBI] xref: PMCID:PMC8088531 {source="Europe PMC"} xref: PMID:21885436 {source="Europe PMC"} xref: PMID:33916257 {source="Europe PMC"} xref: PMID:34064549 {source="Europe PMC"} xref: Wikipedia:Vitamin_C is_a: BFO:0000004 ! independent continuant is_a: CHEBI:50523 ! butenolide relationship: RO:0000087 CHEBI:27314 ! has role water-soluble vitamin (role) [Term] id: CHEBI:176838 name: vitamin B2 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms)." [] subset: 3_STAR synonym: "vitamin B-2" RELATED [ChEBI] synonym: "vitamin B2" EXACT [ChEBI] synonym: "vitamins B2" RELATED [ChEBI] synonym: "vitamins B2 vitamer" RELATED [ChEBI] synonym: "vitamins B2 vitamers" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176839 name: vitamin B3 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms)." [] subset: 3_STAR synonym: "vitamin B-3" RELATED [ChEBI] synonym: "vitamin B3" EXACT [ChEBI] synonym: "vitamin B3 vitamer" RELATED [ChEBI] synonym: "vitamin B3 vitamers" RELATED [ChEBI] synonym: "vitamins B3" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176840 name: vitamin B5 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms." [] subset: 3_STAR synonym: "vitamin B-5" RELATED [ChEBI] synonym: "vitamin B5" EXACT [ChEBI] synonym: "vitamin B5 vitamer" RELATED [ChEBI] synonym: "vitamin B5 vitamers" RELATED [ChEBI] synonym: "vitamins B5" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176841 name: vitamin B7 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms." [] subset: 3_STAR synonym: "vitamin B-7" RELATED [ChEBI] synonym: "vitamin B7" EXACT [ChEBI] synonym: "vitamin B7 vitamer" RELATED [ChEBI] synonym: "vitamin B7 vitamers" RELATED [ChEBI] synonym: "vitamins B7" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176842 name: vitamin B9 namespace: chebi_ontology def: "Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin." [] subset: 3_STAR synonym: "folate vitamer" RELATED [ChEBI] synonym: "folate vitamers" RELATED [ChEBI] synonym: "vitamin B-9" RELATED [ChEBI] synonym: "vitamin B9" EXACT [ChEBI] synonym: "vitamin B9 vitamer" RELATED [ChEBI] synonym: "vitamin B9 vitamers" RELATED [ChEBI] synonym: "vitamins B9" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176843 name: vitamin B12 namespace: chebi_ontology def: "Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives)." [] subset: 3_STAR synonym: "vitamin B-12" RELATED [ChEBI] synonym: "vitamin B12" EXACT [ChEBI] synonym: "vitamin B12 vitamer" RELATED [ChEBI] synonym: "vitamin B12 vitamers" RELATED [ChEBI] synonym: "vitamins B12" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176894 name: vitamin B6 phosphate anion namespace: chebi_ontology subset: 3_STAR synonym: "vitamin B-6 phosphate anion" RELATED [ChEBI] synonym: "vitamin B-6 phosphate anions" RELATED [ChEBI] synonym: "vitamin B6 phosphate anions" RELATED [ChEBI] is_a: CHEBI:27306 ! vitamin B6 is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:36970 ! vitamin B6 phosphate [Term] id: CHEBI:17716 name: lactose namespace: chebi_ontology alt_id: CHEBI:10296 alt_id: CHEBI:10380 alt_id: CHEBI:14497 alt_id: CHEBI:22460 alt_id: CHEBI:22760 alt_id: CHEBI:25005 alt_id: CHEBI:27755 alt_id: CHEBI:613009 def: "A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form." [] subset: 3_STAR synonym: "(+)-lactose" RELATED [NIST_Chemistry_WebBook] synonym: "(Gal)1 (Glc)1" RELATED [KEGG_GLYCAN] synonym: "1-beta-D-Galactopyranosyl-4-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "4-(beta-D-galactosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-beta-D-galactopyranosyl-D-glucose" RELATED [IUPAC] synonym: "beta-D-Gal-(1->4)-D-Glc" RELATED [KEGG_COMPOUND] synonym: "beta-D-galactopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Galp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "beta-Gal1,4-Glc" RELATED [ChEBI] synonym: "D-lactose" RELATED [ChemIDplus] synonym: "Galbeta1-4Glc" RELATED [ChEBI] synonym: "Lac" RELATED [JCBN] synonym: "lactobiose" RELATED [NIST_Chemistry_WebBook] synonym: "lactose" EXACT [UniProt] synonym: "Laktobiose" RELATED [ChEBI] synonym: "Laktose" RELATED [ChEBI] synonym: "Milchzucker" RELATED [ChEBI] synonym: "Milk sugar" RELATED [KEGG_COMPOUND] synonym: "milk sugar" RELATED [NIST_Chemistry_WebBook] synonym: "WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1" RELATED [GlyTouCan] xref: Beilstein:1292745 {source="Beilstein"} xref: CAS:63-42-3 {source="NIST Chemistry WebBook"} xref: CAS:63-42-3 {source="ChemIDplus"} xref: CAS:63-42-3 {source="KEGG COMPOUND"} xref: GlyGen:G74621DY xref: GlyTouCan:G74621DY xref: Gmelin:882872 {source="Gmelin"} xref: KEGG:C00243 xref: KEGG:D00046 xref: KEGG:G10504 xref: KNApSAcK:C00001136 xref: PMID:1292745 {source="Europe PMC"} xref: PMID:17329833 {source="Europe PMC"} xref: PMID:18300214 {source="Europe PMC"} xref: PMID:19053747 {source="ChEMBL"} xref: PMID:19846069 {source="Europe PMC"} xref: PMID:19913595 {source="Europe PMC"} xref: PMID:20094999 {source="Europe PMC"} xref: PMID:20503067 {source="Europe PMC"} xref: PMID:20699559 {source="Europe PMC"} xref: PMID:20873837 {source="Europe PMC"} xref: PMID:20961532 {source="Europe PMC"} xref: PMID:21403918 {source="Europe PMC"} xref: PMID:2432147 {source="Europe PMC"} xref: PMID:2456994 {source="Europe PMC"} xref: PMID:28690131 {source="Europe PMC"} xref: PMID:28807538 {source="Europe PMC"} xref: PMID:6194884 {source="Europe PMC"} xref: PMID:7574700 {source="Europe PMC"} xref: Reaxys:1292745 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24405 ! glycosylglucose relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUBGYTABKSRVRQ-QKKXKWKRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17754 name: glycerol namespace: chebi_ontology alt_id: CHEBI:131422 alt_id: CHEBI:14334 alt_id: CHEBI:24351 alt_id: CHEBI:42998 alt_id: CHEBI:5448 def: "A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups." [] subset: 3_STAR synonym: "1,2,3-Propanetriol" RELATED [KEGG_COMPOUND] synonym: "1,2,3-Trihydroxypropane" RELATED [KEGG_COMPOUND] synonym: "Glycerin" RELATED [KEGG_COMPOUND] synonym: "glycerine" RELATED [ChEBI] synonym: "Glyceritol" RELATED [HMDB] synonym: "GLYCEROL" EXACT [PDBeChem] synonym: "Glycerol" EXACT [KEGG_COMPOUND] synonym: "glycerol" EXACT [UniProt] synonym: "glycerol" EXACT [ChEBI] synonym: "glycerol" RELATED INN [ChemIDplus] synonym: "glycerolum" RELATED INN [ChemIDplus] synonym: "glycyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Glyzerin" RELATED [ChEBI] synonym: "Gro" RELATED [JCBN] synonym: "Oelsuess" RELATED [ChEBI] synonym: "propane-1,2,3-triol" EXACT IUPAC_NAME [IUPAC] synonym: "Propanetriol" RELATED [HMDB] synonym: "Trihydroxypropane" RELATED [HMDB] xref: Beilstein:635685 {source="Beilstein"} xref: CAS:56-81-5 {source="KEGG COMPOUND"} xref: CAS:56-81-5 {source="NIST Chemistry WebBook"} xref: CAS:56-81-5 {source="ChemIDplus"} xref: Chemspider:733 xref: Drug_Central:1316 {source="DrugCentral"} xref: DrugBank:DB04077 xref: ECMDB:ECMDB00131 xref: FooDB:FDB000756 xref: Gmelin:26279 {source="Gmelin"} xref: HMDB:HMDB0000131 xref: KEGG:C00116 xref: KEGG:D00028 xref: KNApSAcK:C00001163 xref: LINCS:LSM-37180 xref: MetaCyc:GLYCEROL xref: PDB:2AJS xref: PDB:2D03 xref: PDBeChem:GOL xref: PMID:11302662 {source="Europe PMC"} xref: PMID:11958517 {source="Europe PMC"} xref: PMID:11994365 {source="Europe PMC"} xref: PMID:12672239 {source="ChEMBL"} xref: PMID:12687625 {source="Europe PMC"} xref: PMID:12689633 {source="Europe PMC"} xref: PMID:12713573 {source="Europe PMC"} xref: PMID:14559393 {source="Europe PMC"} xref: PMID:14563847 {source="Europe PMC"} xref: PMID:15026783 {source="Europe PMC"} xref: PMID:15342117 {source="Europe PMC"} xref: PMID:15786693 {source="Europe PMC"} xref: PMID:15983192 {source="Europe PMC"} xref: PMID:16244855 {source="Europe PMC"} xref: PMID:16258193 {source="Europe PMC"} xref: PMID:16319039 {source="Europe PMC"} xref: PMID:16349488 {source="Europe PMC"} xref: PMID:16475911 {source="Europe PMC"} xref: PMID:16651733 {source="Europe PMC"} xref: PMID:16664750 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:19184438 {source="Europe PMC"} xref: PMID:19231894 {source="Europe PMC"} xref: PMID:19460032 {source="Europe PMC"} xref: PMID:19548674 {source="Europe PMC"} xref: PMID:19795216 {source="Europe PMC"} xref: PMID:19956799 {source="Europe PMC"} xref: PMID:22705534 {source="Europe PMC"} xref: PMID:23562176 {source="Europe PMC"} xref: PMID:23747440 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:24835191 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:558160 {source="Europe PMC"} xref: PMID:6299616 {source="Europe PMC"} xref: PMID:7031247 {source="ChEMBL"} xref: PMID:7392035 {source="ChEMBL"} xref: PPDB:1317 xref: Reaxys:635685 {source="Reaxys"} xref: UM-BBD_compID:c0066 {source="UM-BBD"} xref: Wikipedia:Glycerol xref: YMDB:YMDB00283 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:17522 ! alditol is_a: CHEBI:27136 ! triol relationship: RO:0000087 CHEBI:176497 ! has role geroprotector relationship: RO:0000087 CHEBI:25728 ! has role osmolyte relationship: RO:0000087 CHEBI:27780 ! has role detergent relationship: RO:0000087 CHEBI:46787 ! has role solvent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PEDCQBHIVMGVHV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.09382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC(O)CO" xsd:string [Term] id: CHEBI:17781 name: lumichrome namespace: chebi_ontology alt_id: CHEBI:14534 alt_id: CHEBI:25080 alt_id: CHEBI:43772 alt_id: CHEBI:6561 def: "A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution." [] subset: 3_STAR synonym: "7,8-Dimethylalloxazine" RELATED [KEGG_COMPOUND] synonym: "7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "LUMICHROME" EXACT [PDBeChem] synonym: "Lumichrome" EXACT [KEGG_COMPOUND] synonym: "lumichrome" EXACT [UniProt] xref: Beilstein:226631 {source="Beilstein"} xref: CAS:1086-80-2 {source="ChemIDplus"} xref: CAS:1086-80-2 {source="NIST Chemistry WebBook"} xref: CAS:1086-80-2 {source="KEGG COMPOUND"} xref: DrugBank:DB04345 xref: KEGG:C01727 xref: KNApSAcK:C00030694 xref: MetaCyc:CPD-605 xref: PDBeChem:LUM xref: PMID:15819908 {source="Europe PMC"} xref: PMID:21126007 {source="Europe PMC"} xref: PMID:22953948 {source="Europe PMC"} xref: PMID:24001807 {source="Europe PMC"} xref: PMID:24451190 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: Reaxys:226631 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione relationship: has_functional_parent CHEBI:37325 ! alloxazine relationship: is_tautomer_of CHEBI:37323 ! 7,8-dimethylisoalloxazine relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJTJUVIJVLLGSP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.23356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.08038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C" xsd:string [Term] id: CHEBI:17790 name: methanol namespace: chebi_ontology alt_id: CHEBI:14588 alt_id: CHEBI:25227 alt_id: CHEBI:44080 alt_id: CHEBI:44553 alt_id: CHEBI:6816 def: "The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group." [] subset: 3_STAR synonym: "carbinol" RELATED [ChemIDplus] synonym: "CH3OH" RELATED [ChEBI] synonym: "MeOH" RELATED [ChEBI] synonym: "METHANOL" EXACT [PDBeChem] synonym: "Methanol" EXACT [KEGG_COMPOUND] synonym: "methanol" EXACT [UniProt] synonym: "methanol" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl alcohol" RELATED [KEGG_COMPOUND] synonym: "Methylalkohol" RELATED [NIST_Chemistry_WebBook] synonym: "spirit of wood" RELATED [HMDB] synonym: "wood alcohol" RELATED [ChemIDplus] synonym: "wood naphtha" RELATED [ChemIDplus] synonym: "wood spirit" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1098229 {source="Beilstein"} xref: CAS:67-56-1 {source="KEGG COMPOUND"} xref: CAS:67-56-1 {source="NIST Chemistry WebBook"} xref: CAS:67-56-1 {source="ChemIDplus"} xref: Gmelin:449 {source="Gmelin"} xref: HMDB:HMDB0001875 xref: KEGG:C00132 xref: KEGG:D02309 xref: MetaCyc:METOH xref: PDBeChem:MOH xref: PMID:11141607 {source="Europe PMC"} xref: PMID:11430978 {source="Europe PMC"} xref: PMID:11489599 {source="Europe PMC"} xref: PMID:11680737 {source="Europe PMC"} xref: PMID:11684179 {source="Europe PMC"} xref: PMID:14012711 {source="Europe PMC"} xref: PMID:14678513 {source="Europe PMC"} xref: PMID:14760634 {source="Europe PMC"} xref: PMID:15172721 {source="Europe PMC"} xref: PMID:15906011 {source="Europe PMC"} xref: PMID:16705261 {source="Europe PMC"} xref: PMID:17451998 {source="Europe PMC"} xref: PMID:17733096 {source="Europe PMC"} xref: PMID:19064074 {source="Europe PMC"} xref: PMID:19850112 {source="Europe PMC"} xref: PMID:20314698 {source="Europe PMC"} xref: Reaxys:1098229 {source="Reaxys"} xref: UM-BBD_compID:c0132 {source="UM-BBD"} xref: Wikipedia:Methanol is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:52090 ! methoxide relationship: RO:0000087 CHEBI:131604 ! has role Mycoplasma genitalium metabolite relationship: RO:0000087 CHEBI:33292 ! has role fuel relationship: RO:0000087 CHEBI:48360 ! has role amphiprotic solvent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O/c1-2/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKKJLVBELUTLKV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.02621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CO" xsd:string [Term] id: CHEBI:17822 name: serine namespace: chebi_ontology alt_id: CHEBI:15081 alt_id: CHEBI:26648 alt_id: CHEBI:9116 def: "An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group." [] subset: 3_STAR synonym: "2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxyalanine" RELATED [KEGG_COMPOUND] synonym: "Serin" RELATED [ChEBI] synonym: "Serine" EXACT [KEGG_COMPOUND] synonym: "serine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1721402 {source="Beilstein"} xref: CAS:302-84-1 {source="NIST Chemistry WebBook"} xref: CAS:302-84-1 {source="ChemIDplus"} xref: CAS:302-84-1 {source="KEGG COMPOUND"} xref: Gmelin:26429 {source="Gmelin"} xref: KEGG:C00716 xref: KNApSAcK:C00001393 xref: Reaxys:1721402 {source="Reaxys"} xref: Wikipedia:Serine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:24712 ! hydroxymethyl group relationship: is_conjugate_acid_of CHEBI:32845 ! serinate relationship: is_conjugate_base_of CHEBI:32846 ! serinium relationship: is_tautomer_of CHEBI:35243 ! serine zwitterion relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CO)C(O)=O" xsd:string [Term] id: CHEBI:17855 name: triglyceride namespace: chebi_ontology alt_id: CHEBI:15255 alt_id: CHEBI:27085 alt_id: CHEBI:9664 def: "Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids." [] subset: 3_STAR synonym: "a triacylglycerol" RELATED [UniProt] synonym: "Triacylglycerol" RELATED [KEGG_COMPOUND] synonym: "triacylglycerols" RELATED [LIPID_MAPS] synonym: "Triglycerid" RELATED [ChEBI] synonym: "Triglyceride" EXACT [KEGG_COMPOUND] synonym: "triglycerides" EXACT IUPAC_NAME [IUPAC] synonym: "triglycerides" RELATED [ChEBI] synonym: "Triglyzerid" RELATED [ChEBI] xref: KEGG:C00422 xref: LIPID_MAPS_class:LMGL0301 {source="LIPID MAPS"} xref: PMID:2474544 {source="Europe PMC"} is_a: CHEBI:47778 ! glyceride is_a: CHEBI:76579 ! triradylglycerol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5O6R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.10030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.00861" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)OCC(COC([*])=O)OC([*])=O" xsd:string [Term] id: CHEBI:17891 name: donor namespace: chebi_ontology alt_id: CHEBI:14202 alt_id: CHEBI:4697 def: "A molecular entity that can transfer (\"donate\") an electron, a pair of electrons, an atom or a group to another molecular entity." [] subset: 3_STAR synonym: "Donator" RELATED [ChEBI] synonym: "donneur" RELATED [ChEBI] synonym: "Donor" EXACT [KEGG_COMPOUND] xref: KEGG:C01351 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:17968 name: butyrate namespace: chebi_ontology alt_id: CHEBI:13924 alt_id: CHEBI:22946 def: "A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "1-butanoate" RELATED [ChEBI] synonym: "1-butyrate" RELATED [ChEBI] synonym: "1-propanecarboxylate" RELATED [ChEBI] synonym: "butanate" RELATED [ChEBI] synonym: "butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "butanoate" RELATED [ChEBI] synonym: "butanoate" RELATED [UniProt] synonym: "butanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "butyrate" EXACT [IUPAC] synonym: "CH3-[CH2]2-COO(-)" RELATED [IUPAC] synonym: "n-butanoate" RELATED [ChEBI] synonym: "n-butyrate" RELATED [ChemIDplus] synonym: "propanecarboxylate" RELATED [ChEBI] synonym: "propylformate" RELATED [ChEBI] xref: Beilstein:3601060 {source="Beilstein"} xref: CAS:461-55-2 {source="ChemIDplus"} xref: Gmelin:324289 {source="Gmelin"} xref: KEGG:C00246 xref: MetaCyc:BUTYRIC_ACID xref: PMID:17190852 {source="Europe PMC"} xref: PMID:7496326 {source="Europe PMC"} xref: Reaxys:3601060 {source="Reaxys"} xref: UM-BBD_compID:c0035 {source="UM-BBD"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:78115 ! fatty acid anion 4:0 relationship: is_conjugate_base_of CHEBI:30772 ! butyric acid relationship: RO:0000087 CHEBI:61115 ! has role EC 3.5.1.98 (histone deacetylase) inhibitor relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FERIUCNNQQJTOY-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.09718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.04515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC([O-])=O" xsd:string [Term] id: CHEBI:17992 name: sucrose namespace: chebi_ontology alt_id: CHEBI:15128 alt_id: CHEBI:26812 alt_id: CHEBI:45795 alt_id: CHEBI:9314 def: "A glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose." [] subset: 3_STAR synonym: "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside" RELATED [KEGG_COMPOUND] synonym: "beta-D-fructofuranosyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Fruf-(2<->1)-alpha-D-Glcp" RELATED [JCBN] synonym: "Cane sugar" RELATED [KEGG_COMPOUND] synonym: "sacarosa" RELATED [ChEBI] synonym: "Saccharose" RELATED [KEGG_COMPOUND] synonym: "Sacharose" RELATED [ChEBI] synonym: "SUCROSE" EXACT [PDBeChem] synonym: "Sucrose" EXACT [KEGG_COMPOUND] synonym: "sucrose" EXACT [UniProt] synonym: "table sugar" RELATED [ChemIDplus] synonym: "White sugar" RELATED [HMDB] xref: Beilstein:90825 {source="Beilstein"} xref: CAS:57-50-1 {source="KEGG COMPOUND"} xref: CAS:57-50-1 {source="ChemIDplus"} xref: CAS:57-50-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:4610 {source="DrugCentral"} xref: DrugBank:DB02772 xref: Gmelin:97695 {source="Gmelin"} xref: HMDB:HMDB0000258 xref: KEGG:C00089 xref: KEGG:D00025 xref: KEGG:D06533 xref: KEGG:G00370 xref: KNApSAcK:C00001151 xref: MetaCyc:SUCROSE xref: PDBeChem:SUC xref: PMID:11021636 {source="Europe PMC"} xref: PMID:11093712 {source="Europe PMC"} xref: PMID:11111003 {source="Europe PMC"} xref: PMID:12065720 {source="Europe PMC"} xref: PMID:12706980 {source="Europe PMC"} xref: PMID:13508893 {source="Europe PMC"} xref: PMID:15291457 {source="Europe PMC"} xref: PMID:15660210 {source="Europe PMC"} xref: PMID:15792978 {source="Europe PMC"} xref: PMID:15845855 {source="Europe PMC"} xref: PMID:16228482 {source="Europe PMC"} xref: PMID:16304615 {source="Europe PMC"} xref: PMID:16313996 {source="Europe PMC"} xref: PMID:16525719 {source="Europe PMC"} xref: PMID:16660545 {source="Europe PMC"} xref: PMID:16663947 {source="Europe PMC"} xref: PMID:16665852 {source="Europe PMC"} xref: PMID:17233733 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17597061 {source="Europe PMC"} xref: PMID:18625236 {source="Europe PMC"} xref: PMID:19199566 {source="Europe PMC"} xref: PMID:19726178 {source="Europe PMC"} xref: PMID:21703290 {source="Europe PMC"} xref: PMID:21972845 {source="Europe PMC"} xref: PMID:22085755 {source="Europe PMC"} xref: PMID:22311778 {source="Europe PMC"} xref: PMID:22404833 {source="Europe PMC"} xref: PMID:22751876 {source="Europe PMC"} xref: Reaxys:1435311 {source="Reaxys"} xref: Reaxys:90825 {source="Reaxys"} xref: Wikipedia:Sucrose is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24407 ! glycosyl glycoside relationship: RO:0000087 CHEBI:25728 ! has role osmolyte relationship: RO:0000087 CHEBI:50505 ! has role sweetening agent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZMRCDWAGMRECN-UGDNZRGBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18059 name: lipid namespace: chebi_ontology alt_id: CHEBI:14517 alt_id: CHEBI:25054 alt_id: CHEBI:6486 def: "'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." [] subset: 3_STAR synonym: "Lipid" EXACT [KEGG_COMPOUND] synonym: "lipids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01356 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:18085 name: glycosaminoglycan namespace: chebi_ontology alt_id: CHEBI:14361 alt_id: CHEBI:24398 alt_id: CHEBI:5495 def: "Any polysaccharide containing a substantial proportion of aminomonosaccharide residues." [] subset: 3_STAR synonym: "glicosaminoglicano" RELATED [IUPAC] synonym: "Glycosaminoglycan" EXACT [KEGG_COMPOUND] synonym: "glycosaminoglycan" EXACT IUPAC_NAME [IUPAC] synonym: "glycosaminoglycane" RELATED [IUPAC] synonym: "glycosaminoglycans" RELATED [ChEBI] synonym: "Glykosaminoglykan" RELATED [ChEBI] xref: KEGG:C02545 xref: Wikipedia:Glycosaminoglycan is_a: CHEBI:22506 ! aminoglycan [Term] id: CHEBI:18133 name: hexose namespace: chebi_ontology alt_id: CHEBI:14399 alt_id: CHEBI:24590 alt_id: CHEBI:5709 def: "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)." [] subset: 3_STAR synonym: "Hexose" EXACT [KEGG_COMPOUND] synonym: "hexoses" RELATED [ChEBI] synonym: "WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/" RELATED [GlyTouCan] xref: GlyGen:G70994MS xref: GlyTouCan:G70994MS xref: KEGG:C00738 is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:18139 name: trimethylamine namespace: chebi_ontology alt_id: CHEBI:15261 alt_id: CHEBI:27125 alt_id: CHEBI:27127 alt_id: CHEBI:9732 def: "A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group." [] subset: 3_STAR synonym: "(CH3)3N" RELATED [KEGG_COMPOUND] synonym: "N(CH3)3" RELATED [ChEBI] synonym: "N,N,N-trimethylamine" RELATED [ChEBI] synonym: "N,N-Dimethylmethanamine" RELATED [KEGG_COMPOUND] synonym: "N,N-dimethylmethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "NMe3" RELATED [ChEBI] synonym: "TMA" RELATED [NIST_Chemistry_WebBook] synonym: "tridimethylaminomethane" RELATED [ChEBI] synonym: "Trimethylamin" RELATED [ChEBI] synonym: "Trimethylamine" EXACT [KEGG_COMPOUND] xref: Beilstein:956566 {source="Beilstein"} xref: CAS:75-50-3 {source="ChemIDplus"} xref: CAS:75-50-3 {source="NIST Chemistry WebBook"} xref: CAS:75-50-3 {source="KEGG COMPOUND"} xref: Gmelin:1309 {source="Gmelin"} xref: HMDB:HMDB0000906 xref: KEGG:C00565 xref: KNApSAcK:C00001433 xref: MetaCyc:TRIMETHYLAMINE xref: PDBeChem:KEN xref: PMID:14047118 {source="Europe PMC"} xref: PMID:15304308 {source="Europe PMC"} xref: PMID:15752091 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:1801314 {source="Europe PMC"} xref: PMID:24591617 {source="Europe PMC"} xref: PMID:2501587 {source="Europe PMC"} xref: PMID:5161463 {source="Europe PMC"} xref: Reaxys:956566 {source="Reaxys"} xref: Wikipedia:Trimethylamine is_a: CHEBI:25274 ! methylamines is_a: CHEBI:32876 ! tertiary amine relationship: is_conjugate_base_of CHEBI:58389 ! trimethylammonium relationship: RO:0000087 CHEBI:76967 ! has role human xenobiotic metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETQZCLCWQTVFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.11030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C" xsd:string [Term] id: CHEBI:18140 name: hydrogen halide namespace: chebi_ontology alt_id: CHEBI:13368 alt_id: CHEBI:37140 alt_id: CHEBI:5599 subset: 3_STAR synonym: "HX" RELATED [UniProt] synonym: "hydrogen halide" EXACT [IUPAC] synonym: "hydrogen halides" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen halides" RELATED [ChEBI] is_a: CHEBI:33405 ! hydracid relationship: RO:0000087 CHEBI:138103 ! has role inorganic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HX" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1.008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F,Cl,Br,I]" xsd:string [Term] id: CHEBI:18154 name: polysaccharide namespace: chebi_ontology alt_id: CHEBI:14864 alt_id: CHEBI:26205 alt_id: CHEBI:8322 def: "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." [] subset: 3_STAR synonym: "Glycan" RELATED [KEGG_COMPOUND] synonym: "Glycane" RELATED [ChEBI] synonym: "glycans" RELATED [IUPAC] synonym: "Glykan" RELATED [ChEBI] synonym: "Glykane" RELATED [ChEBI] synonym: "polisacarido" RELATED [ChEBI] synonym: "polisacaridos" RELATED [IUPAC] synonym: "Polysaccharide" EXACT [KEGG_COMPOUND] synonym: "polysaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00420 is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:167559 ! glycan is_a: CHEBI:33694 ! biomacromolecule [Term] id: CHEBI:18186 name: tyrosine namespace: chebi_ontology alt_id: CHEBI:15277 alt_id: CHEBI:27176 alt_id: CHEBI:9800 def: "An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring." [] subset: 3_STAR synonym: "2-amino-3-(4-hydroxyphenyl)propanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-(p-hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-(p-Hydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "tirosina" RELATED [ChEBI] synonym: "Tyr" RELATED [ChEBI] synonym: "Tyrosin" RELATED [ChEBI] synonym: "Tyrosine" EXACT [KEGG_COMPOUND] synonym: "tyrosine" EXACT IUPAC_NAME [IUPAC] synonym: "Y" RELATED [ChEBI] xref: Beilstein:515881 {source="Beilstein"} xref: CAS:55520-40-6 {source="ChemIDplus"} xref: CAS:556-03-6 {source="KEGG COMPOUND"} xref: Gmelin:27744 {source="Gmelin"} xref: KEGG:C01536 xref: KNApSAcK:C00001397 xref: PMID:17190852 {source="Europe PMC"} xref: Reaxys:515881 {source="Reaxys"} is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_part CHEBI:50336 ! 4-hydroxybenzyl group relationship: is_conjugate_acid_of CHEBI:32784 ! tyrosinate(1-) relationship: is_conjugate_base_of CHEBI:32786 ! tyrosinium relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:18211 name: citrulline namespace: chebi_ontology alt_id: CHEBI:14002 alt_id: CHEBI:3730 def: "The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position." [] subset: 3_STAR synonym: "2-amino-5-(carbamoylamino)pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Amino-5-uredovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Cit" RELATED [IUPAC] synonym: "citrulina" RELATED [ChEBI] synonym: "Citrullin" RELATED [ChEBI] synonym: "Citrulline" EXACT [KEGG_COMPOUND] synonym: "citrulline" EXACT IUPAC_NAME [IUPAC] synonym: "DL-2-amino-5-ureidovaleric acid" RELATED [ChemIDplus] synonym: "dl-citrulline" RELATED [NIST_Chemistry_WebBook] synonym: "N(5)-(aminocarbonyl)-DL-ornithine" RELATED [NIST_Chemistry_WebBook] synonym: "N(5)-(aminocarbonyl)ornithine" RELATED [ChEBI] synonym: "N(5)-carbamoyl-DL-ornithine" RELATED [NIST_Chemistry_WebBook] synonym: "N(5)-carbamoylornithine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1725417 {source="Beilstein"} xref: Beilstein:2328251 {source="Beilstein"} xref: CAS:627-77-0 {source="ChemIDplus"} xref: CAS:627-77-0 {source="NIST Chemistry WebBook"} xref: PMID:11094453 {source="Europe PMC"} xref: PMID:11113071 {source="Europe PMC"} xref: PMID:11696417 {source="Europe PMC"} xref: PMID:1378088 {source="Europe PMC"} xref: PMID:16082501 {source="Europe PMC"} xref: PMID:16708633 {source="Europe PMC"} xref: PMID:17005970 {source="Europe PMC"} xref: PMID:17513438 {source="Europe PMC"} xref: PMID:17558653 {source="Europe PMC"} xref: PMID:17693747 {source="Europe PMC"} xref: PMID:18437289 {source="Europe PMC"} xref: PMID:18440672 {source="Europe PMC"} xref: PMID:18989563 {source="Europe PMC"} xref: PMID:19144577 {source="Europe PMC"} xref: PMID:21129371 {source="Europe PMC"} xref: PMID:21482070 {source="Europe PMC"} xref: Reaxys:1725417 {source="Reaxys"} xref: Wikipedia:Citrulline is_a: CHEBI:23324 ! citrullines relationship: is_conjugate_acid_of CHEBI:66922 ! citrullinate relationship: RO:0000087 CHEBI:59174 ! has role hapten relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RHGKLRLOHDJJDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.18584" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.09569" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=O)C(O)=O" xsd:string [Term] id: CHEBI:18237 name: glutamic acid namespace: chebi_ontology alt_id: CHEBI:24314 alt_id: CHEBI:5431 def: "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2." [] subset: 3_STAR synonym: "2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] synonym: "2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "DL-Glutamic acid" RELATED [KEGG_DRUG] synonym: "DL-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "Glutaminsaeure" RELATED [ChEBI] xref: Beilstein:1723799 {source="Beilstein"} xref: CAS:617-65-2 {source="ChemIDplus"} xref: CAS:617-65-2 {source="NIST Chemistry WebBook"} xref: CAS:617-65-2 {source="KEGG COMPOUND"} xref: Gmelin:101971 {source="Gmelin"} xref: KEGG:C00302 xref: KEGG:D04341 xref: KNApSAcK:C00001358 xref: KNApSAcK:C00019577 xref: PMID:15739367 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:24616376 {source="Europe PMC"} xref: PMID:24984001 {source="Europe PMC"} xref: Reaxys:1723799 {source="Reaxys"} xref: Wikipedia:Glutamic_acid is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50329 ! 2-carboxyethyl group relationship: is_conjugate_acid_of CHEBI:14321 ! glutamate(1-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:18248 name: iron atom namespace: chebi_ontology alt_id: CHEBI:13322 alt_id: CHEBI:24872 alt_id: CHEBI:5974 def: "An iron group element atom that has atomic number 26." [] subset: 3_STAR synonym: "26Fe" RELATED [IUPAC] synonym: "Eisen" RELATED [ChEBI] synonym: "Fe" RELATED [UniProt] synonym: "Fe" RELATED [IUPAC] synonym: "fer" RELATED [ChEBI] synonym: "ferrum" RELATED [IUPAC] synonym: "hierro" RELATED [ChEBI] synonym: "Iron" RELATED [KEGG_COMPOUND] synonym: "iron" EXACT IUPAC_NAME [IUPAC] synonym: "iron" RELATED [ChEBI] xref: CAS:7439-89-6 {source="ChemIDplus"} xref: CAS:7439-89-6 {source="NIST Chemistry WebBook"} xref: CAS:7439-89-6 {source="KEGG COMPOUND"} xref: DrugBank:DB01592 xref: HMDB:HMDB0015531 xref: KEGG:C00023 xref: Reaxys:4122945 {source="Reaxys"} xref: WebElements:Fe is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33356 ! iron group element atom relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEEYBQQBJWHFJM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.84500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93494" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe]" xsd:string [Term] id: CHEBI:18254 name: ribonucleoside namespace: chebi_ontology alt_id: CHEBI:13014 alt_id: CHEBI:13015 alt_id: CHEBI:13685 alt_id: CHEBI:21085 alt_id: CHEBI:26560 alt_id: CHEBI:4240 alt_id: CHEBI:8844 def: "Any nucleoside where the sugar component is D-ribose." [] subset: 3_STAR synonym: "a ribonucleoside" RELATED [UniProt] synonym: "Ribonucleoside" EXACT [KEGG_COMPOUND] synonym: "ribonucleosides" RELATED [ChEBI] xref: KEGG:C00911 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:47019 ! dihydroxytetrahydrofuran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.05008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18257 name: ornithine namespace: chebi_ontology alt_id: CHEBI:7784 def: "An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5." [] subset: 3_STAR synonym: "2,5-Diaminopentanoic acid" RELATED [KEGG_COMPOUND] synonym: "2,5-diaminopentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2,5-Diaminovaleric acid" RELATED [KEGG_COMPOUND] synonym: "DL-Ornithine" RELATED [ChemIDplus] synonym: "Orn" RELATED [IUPAC] synonym: "Ornithine" EXACT [KEGG_COMPOUND] synonym: "ornithine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1722296 {source="Beilstein"} xref: CAS:616-07-9 {source="ChemIDplus"} xref: Gmelin:847696 {source="Gmelin"} xref: KEGG:C01602 xref: KNApSAcK:C00001384 xref: PMID:15449570 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1722296 {source="Reaxys"} is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: is_conjugate_acid_of CHEBI:32964 ! ornithinate relationship: is_conjugate_base_of CHEBI:46912 ! ornithinium(1+) relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHLPHDHHMVZTML-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.16106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.08988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC(N)C(O)=O" xsd:string [Term] id: CHEBI:18282 name: nucleobase namespace: chebi_ontology alt_id: CHEBI:13873 alt_id: CHEBI:25598 alt_id: CHEBI:2995 def: "That part of DNA or RNA that may be involved in pairing." [] subset: 3_STAR synonym: "Base" RELATED [KEGG_COMPOUND] synonym: "nucleobases" RELATED [ChEBI] xref: KEGG:C00701 xref: Wikipedia:Nucleobase is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:18310 name: alkane namespace: chebi_ontology alt_id: CHEBI:13435 alt_id: CHEBI:22317 alt_id: CHEBI:2576 def: "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms." [] subset: 3_STAR synonym: "alcane" RELATED [IUPAC] synonym: "alcanes" RELATED [IUPAC] synonym: "alcano" RELATED [IUPAC] synonym: "alcanos" RELATED [IUPAC] synonym: "Alkan" RELATED [ChEBI] synonym: "Alkane" EXACT [KEGG_COMPOUND] synonym: "alkane" EXACT IUPAC_NAME [IUPAC] synonym: "alkanes" EXACT IUPAC_NAME [IUPAC] synonym: "an alkane" RELATED [UniProt] synonym: "RH" RELATED [KEGG_COMPOUND] xref: KEGG:C01371 is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33653 ! aliphatic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.035" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.02348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[*]" xsd:string [Term] id: CHEBI:18367 name: phosphate(3-) namespace: chebi_ontology alt_id: CHEBI:14791 alt_id: CHEBI:45024 alt_id: CHEBI:7793 def: "A phosphate ion that is the conjugate base of hydrogenphosphate." [] subset: 3_STAR synonym: "[PO4](3-)" RELATED [IUPAC] synonym: "Orthophosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "PHOSPHATE ION" RELATED [PDBeChem] synonym: "PO4(3-)" RELATED [IUPAC] synonym: "tetraoxidophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903772 {source="Beilstein"} xref: CAS:14265-44-2 {source="KEGG COMPOUND"} xref: CAS:14265-44-2 {source="ChemIDplus"} xref: Gmelin:1997 {source="Gmelin"} xref: KEGG:C00009 xref: PDBeChem:PO4 {source="ChEBI"} xref: Reaxys:3903772 {source="Reaxys"} is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:43474 ! hydrogenphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.97136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.95507" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])([O-])=O" xsd:string [Term] id: CHEBI:18405 name: pyridoxal 5'-phosphate namespace: chebi_ontology alt_id: CHEBI:14977 alt_id: CHEBI:234571 alt_id: CHEBI:26424 alt_id: CHEBI:358848 alt_id: CHEBI:45145 alt_id: CHEBI:8668 def: "The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal." [] subset: 3_STAR synonym: "(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde" RELATED [ChEBI] synonym: "3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate" RELATED [ChEBI] synonym: "codecarboxylase" RELATED [ChEBI] synonym: "Phosphoric acid mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester" RELATED [ChEMBL] synonym: "PLP" RELATED [KEGG_COMPOUND] synonym: "pyridoxal 5'-(dihydrogen phosphate)" RELATED [ChEBI] synonym: "Pyridoxal 5'-phosphate" EXACT [KEGG_COMPOUND] synonym: "pyridoxal 5-monophosphoric acid ester" RELATED [ChEBI] synonym: "Pyridoxal 5-phosphate" RELATED [KEGG_COMPOUND] synonym: "Pyridoxal phosphate" RELATED [KEGG_COMPOUND] synonym: "PYRIDOXAL-5'-PHOSPHATE" RELATED [PDBeChem] xref: Beilstein:234749 {source="Beilstein"} xref: CAS:54-47-7 {source="ChemIDplus"} xref: CAS:54-47-7 {source="KEGG COMPOUND"} xref: COMe:MOL000108 xref: Drug_Central:3506 {source="DrugCentral"} xref: DrugBank:DB00114 xref: Gmelin:465416 {source="Gmelin"} xref: HMDB:HMDB0001491 xref: KEGG:C00018 xref: KNApSAcK:C00007503 xref: PDBeChem:PLP xref: PMID:14651974 {source="Europe PMC"} xref: PMID:16277678 {source="Europe PMC"} xref: PMID:18491919 {source="Europe PMC"} xref: PMID:6339724 {source="ChEMBL"} xref: PMID:7284379 {source="Europe PMC"} xref: PMID:9866693 {source="Europe PMC"} xref: Reaxys:234749 {source="Reaxys"} xref: Wikipedia:Pyridoxal_phosphate is_a: CHEBI:25340 ! methylpyridines is_a: CHEBI:36970 ! vitamin B6 phosphate is_a: CHEBI:38182 ! monohydroxypyridine is_a: CHEBI:38187 ! pyridinecarbaldehyde relationship: has_functional_parent CHEBI:17310 ! pyridoxal relationship: is_conjugate_acid_of CHEBI:597326 ! pyridoxal 5'-phosphate(2-) relationship: RO:0000087 CHEBI:131699 ! has role EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor relationship: RO:0000087 CHEBI:23354 ! has role coenzyme relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10NO6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGVDGCNFYWLIFO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "247.14190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "247.02457" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)c1c(COP(O)(O)=O)cnc(C)c1O" xsd:string [Term] id: CHEBI:190295 name: inorganic calcium salt namespace: chebi_ontology def: "A calcium salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:28457049 {source="SUBMITTER"} is_a: CHEBI:167164 ! mineral nutrient is_a: CHEBI:24839 ! inorganic salt [Term] id: CHEBI:20664 name: 5beta-cholane namespace: chebi_ontology subset: 3_STAR synonym: "5beta-cholane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2048472 {source="Beilstein"} is_a: CHEBI:35519 ! cholane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H42" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSHQKIURKJITMZ-OBUPQJQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.59028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.32865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC" xsd:string [Term] id: CHEBI:21501 name: N-acetyl-D-amino acid namespace: chebi_ontology alt_id: CHEBI:7109 def: "An N-acetyl-amino acid having D-configuration." [] subset: 3_STAR synonym: "N-acetyl-D-amino acids" RELATED [ChEBI] synonym: "N-Acetyl-D-amino-acid" RELATED [KEGG_COMPOUND] xref: KEGG:C03135 is_a: CHEBI:15778 ! N-acyl-D-amino acid is_a: CHEBI:21575 ! N-acetyl-amino acid relationship: is_conjugate_acid_of CHEBI:58496 ! N-acetyl-D-amino acid anion relationship: is_enantiomer_of CHEBI:21545 ! N-acetyl-L-amino acid [Term] id: CHEBI:21545 name: N-acetyl-L-amino acid namespace: chebi_ontology def: "An L-amino acid having an N-acetyl substituent." [] subset: 3_STAR is_a: CHEBI:21575 ! N-acetyl-amino acid is_a: CHEBI:21644 ! N-acyl-L-amino acid relationship: is_enantiomer_of CHEBI:21501 ! N-acetyl-D-amino acid [Term] id: CHEBI:21575 name: N-acetyl-amino acid namespace: chebi_ontology alt_id: CHEBI:7105 def: "An N-acyl-amino acid that has acetyl as the acyl group." [] subset: 3_STAR synonym: "N-Acetyl amino acid" RELATED [KEGG_COMPOUND] synonym: "N-acetyl-amino acids" RELATED [ChEBI] xref: KEGG:C02847 is_a: CHEBI:22160 ! acetamides is_a: CHEBI:22195 ! acetyl-amino acid is_a: CHEBI:51569 ! N-acyl-amino acid relationship: has_functional_parent CHEBI:15366 ! acetic acid [Term] id: CHEBI:21644 name: N-acyl-L-amino acid namespace: chebi_ontology def: "Any N-acylamino acid having L-configuration." [] subset: 3_STAR is_a: CHEBI:51569 ! N-acyl-amino acid relationship: is_enantiomer_of CHEBI:15778 ! N-acyl-D-amino acid [Term] id: CHEBI:21731 name: N-glycosyl compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "glycosylamine" EXACT IUPAC_NAME [IUPAC] synonym: "glycosylamines" RELATED [IUPAC] synonym: "N-glycoside" RELATED [ChEBI] synonym: "N-glycosides" RELATED [ChEBI] synonym: "N-glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:63161 ! glycosyl compound [Term] id: CHEBI:22160 name: acetamides namespace: chebi_ontology def: "Compounds with the general formula RNHC(=O)CH3." [] subset: 3_STAR is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:22195 name: acetyl-amino acid namespace: chebi_ontology def: "Any amino acid derivative that is the N-acetyl or O-acetyl derivative of an amino acid." [] subset: 3_STAR synonym: "acetyl-amino acids" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:22198 name: acetylcysteine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22195 ! acetyl-amino acid is_a: CHEBI:23509 ! cysteine derivative [Term] id: CHEBI:22221 name: acyl group namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "acyl group" EXACT [IUPAC] synonym: "acyl groups" RELATED [ChEBI] synonym: "alkanoyl" EXACT IUPAC_NAME [IUPAC] synonym: "alkanoyl group" RELATED [ChEBI] synonym: "groupe acyle" RELATED [IUPAC] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:22313 name: alkaline earth metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth metal" RELATED [ChEBI] synonym: "alkaline earth metals" EXACT IUPAC_NAME [IUPAC] synonym: "alkaline-earth metal" RELATED [ChEBI] synonym: "alkaline-earth metals" RELATED [ChEBI] synonym: "Erdalkalimetall" RELATED [ChEBI] synonym: "Erdalkalimetalle" RELATED [ChEBI] synonym: "metal alcalino-terreux" RELATED [ChEBI] synonym: "metal alcalinoterreo" RELATED [ChEBI] synonym: "metales alcalinoterreos" RELATED [ChEBI] synonym: "metaux alcalino-terreux" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom is_a: CHEBI:33521 ! metal atom is_a: CHEBI:33559 ! s-block element atom [Term] id: CHEBI:22314 name: alkali metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal" RELATED [ChEBI] synonym: "alkali metals" EXACT IUPAC_NAME [IUPAC] synonym: "Alkalimetall" RELATED [ChEBI] synonym: "Alkalimetalle" RELATED [ChEBI] synonym: "metal alcalin" RELATED [ChEBI] synonym: "metal alcalino" RELATED [ChEBI] synonym: "metales alcalinos" RELATED [ChEBI] synonym: "metaux alcalins" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom is_a: CHEBI:33521 ! metal atom is_a: CHEBI:33559 ! s-block element atom [Term] id: CHEBI:22315 name: alkaloid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "alcaloide" RELATED [ChEBI] synonym: "alcaloides" RELATED [ChEBI] synonym: "Alkaloid" EXACT [ChEBI] synonym: "Alkaloide" RELATED [ChEBI] synonym: "alkaloids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Alkaloid is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35352 ! organonitrogen compound relationship: RO:0000087 CHEBI:25212 ! has role metabolite [Term] id: CHEBI:22323 name: alkyl group namespace: chebi_ontology def: "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom." [] subset: 3_STAR synonym: "alkyl group" EXACT IUPAC_NAME [IUPAC] synonym: "alkyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "groupe alkyle" RELATED [IUPAC] synonym: "grupo alquilo" RELATED [IUPAC] synonym: "grupos alquilo" RELATED [IUPAC] is_a: CHEBI:33248 ! hydrocarbyl group relationship: is_substituent_group_from CHEBI:18310 ! alkane [Term] id: CHEBI:22331 name: alkylamines namespace: chebi_ontology def: "Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups." [] subset: 3_STAR is_a: CHEBI:32952 ! amine [Term] id: CHEBI:22333 name: alkylating agent namespace: chebi_ontology def: "Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases." [] subset: 3_STAR is_a: CHEBI:25435 ! mutagen [Term] id: CHEBI:22494 name: aminobenzoate namespace: chebi_ontology subset: 3_STAR synonym: "aminobenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates relationship: is_conjugate_base_of CHEBI:22495 ! aminobenzoic acid [Term] id: CHEBI:22495 name: aminobenzoic acid namespace: chebi_ontology subset: 3_STAR synonym: "Aminobenzoesaeure" RELATED [ChEBI] synonym: "aminobenzoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:33856 ! aromatic amino acid relationship: is_conjugate_acid_of CHEBI:22494 ! aminobenzoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string [Term] id: CHEBI:22506 name: aminoglycan namespace: chebi_ontology subset: 3_STAR synonym: "aminoglycans" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:65212 ! polysaccharide derivative [Term] id: CHEBI:22563 name: anion namespace: chebi_ontology def: "A monoatomic or polyatomic species having one or more elementary charges of the electron." [] subset: 3_STAR synonym: "Anion" EXACT [ChEBI] synonym: "anion" EXACT IUPAC_NAME [IUPAC] synonym: "anion" EXACT [ChEBI] synonym: "Anionen" RELATED [ChEBI] synonym: "aniones" RELATED [ChEBI] synonym: "anions" RELATED [IUPAC] is_a: CHEBI:24870 ! ion [Term] id: CHEBI:22586 name: antioxidant namespace: chebi_ontology def: "A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides." [] subset: 3_STAR synonym: "antioxidants" RELATED [ChEBI] synonym: "antioxydant" RELATED [ChEBI] synonym: "antoxidant" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:22587 name: antiviral agent namespace: chebi_ontology def: "A substance that destroys or inhibits replication of viruses." [] subset: 3_STAR synonym: "anti-viral agent" RELATED [ChEBI] synonym: "anti-viral agents" RELATED [ChEBI] synonym: "antiviral" RELATED [ChEBI] synonym: "antiviral agents" RELATED [ChEBI] synonym: "antivirals" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:22651 name: ascorbate namespace: chebi_ontology def: "A ketoaldonate that is the conjugate base of ascorbic acid." [] subset: 3_STAR is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24961 ! ketoaldonate relationship: is_conjugate_base_of CHEBI:22652 ! ascorbic acid relationship: RO:0000087 CHEBI:22586 ! has role antioxidant [Term] id: CHEBI:22652 name: ascorbic acid namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24963 ! ketoaldonic acid relationship: is_conjugate_acid_of CHEBI:22651 ! ascorbate [Term] id: CHEBI:22658 name: aspartate family amino acid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "aspartate family amino acids" RELATED [ChEBI] synonym: "aspartic acid family amino acid" RELATED [ChEBI] synonym: "aspartic acid family amino acids" RELATED [ChEBI] synonym: "oxaloacetate family amino acid" RELATED [ChEBI] synonym: "oxaloacetate family amino acids" RELATED [ChEBI] synonym: "oxaloacetate/aspartate family amino acid" RELATED [ChEBI] synonym: "oxaloacetate/aspartate family amino acids" RELATED [ChEBI] xref: PMID:4386082 {source="Europe PMC"} xref: PMID:4394351 {source="Europe PMC"} xref: PMID:4721772 {source="Europe PMC"} xref: PMID:5016260 {source="Europe PMC"} xref: PMID:5074276 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:22695 name: base namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "Base" EXACT [ChEBI] synonym: "base" EXACT [ChEBI] synonym: "base" EXACT IUPAC_NAME [IUPAC] synonym: "Base1" RELATED [KEGG_COMPOUND] synonym: "Base2" RELATED [KEGG_COMPOUND] synonym: "Basen" RELATED [ChEBI] synonym: "bases" RELATED [ChEBI] synonym: "Nucleobase" RELATED [KEGG_COMPOUND] xref: KEGG:C00701 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:22712 name: benzenes namespace: chebi_ontology def: "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:22718 name: benzoates namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid." [] subset: 3_STAR synonym: "benzoate anion" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:91007 ! aromatic carboxylate [Term] id: CHEBI:22723 name: benzoic acids namespace: chebi_ontology def: "Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33859 ! aromatic carboxylic acid [Term] id: CHEBI:22727 name: benzopyran namespace: chebi_ontology subset: 3_STAR synonym: "benzopyrans" RELATED [ChEBI] xref: Wikipedia:Benzopyran is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:22729 name: benzoquinones namespace: chebi_ontology def: "Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives." [] subset: 3_STAR is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:22744 name: benzyl group namespace: chebi_ontology subset: 3_STAR synonym: "benzyl" EXACT IUPAC_NAME [IUPAC] synonym: "Bn" RELATED [ChEBI] synonym: "C6H5-CH2-" RELATED [IUPAC] synonym: "phenylalanine side-chain" RELATED [ChEBI] synonym: "phenylmethyl" RELATED [IUPAC] is_a: CHEBI:33452 ! benzylic group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:17578 ! toluene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "91.13048" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "91.05478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=CC=C1)C*" xsd:string [Term] id: CHEBI:22823 name: beta-alanine derivative namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16958 ! beta-alanine [Term] id: CHEBI:22860 name: amino-acid betaine namespace: chebi_ontology def: "Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries methyl substituents and bears no hydrogen atoms." [] subset: 3_STAR synonym: "amino acid betaines" RELATED [ChEBI] synonym: "amino-acid betaines" RELATED [ChEBI] synonym: "betaines" RELATED [ChEBI] is_a: CHEBI:35284 ! ammonium betaine is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:22868 name: bile salt namespace: chebi_ontology def: "A sodium salt of the conjugate of any bile acid with either glycine or taurine." [] subset: 3_STAR synonym: "Bile acid" RELATED [KEGG_COMPOUND] synonym: "bile salts" RELATED [ChEBI] xref: KEGG:C01558 is_a: CHEBI:36078 ! cholanoid is_a: CHEBI:38700 ! organic sodium salt [Term] id: CHEBI:22918 name: branched-chain amino acid namespace: chebi_ontology def: "Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents" [] subset: 3_STAR synonym: "branched chain amino acids" RELATED [ChEBI] is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63471 ! branched-chain amino-acid anion [Term] id: CHEBI:22984 name: calcium atom namespace: chebi_ontology subset: 3_STAR synonym: "20Ca" RELATED [IUPAC] synonym: "Ca" RELATED [IUPAC] synonym: "Ca" RELATED [UniProt] synonym: "calcio" RELATED [ChEBI] synonym: "Calcium" RELATED [KEGG_COMPOUND] synonym: "calcium" EXACT IUPAC_NAME [IUPAC] synonym: "calcium" RELATED [ChEBI] synonym: "Kalzium" RELATED [ChEBI] xref: CAS:7440-70-2 {source="ChemIDplus"} xref: DrugBank:DB01373 xref: KEGG:C00076 xref: WebElements:Ca is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22313 ! alkaline earth metal atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYPRJOBELJOOCE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.07800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca]" xsd:string [Term] id: CHEBI:22985 name: calcium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "calcium compounds" RELATED [ChEBI] synonym: "calcium molecular entities" RELATED [ChEBI] synonym: "calcium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:22984 ! calcium atom [Term] id: CHEBI:23004 name: carbamoyl group namespace: chebi_ontology def: "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid." [] subset: 3_STAR synonym: "-C(O)NH2" RELATED [ChEBI] synonym: "-CONH2" RELATED [IUPAC] synonym: "aminocarbonyl" RELATED [IUPAC] synonym: "carbamoyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbamyl" RELATED [ChEBI] synonym: "carbamyl group" RELATED [ChEBI] synonym: "carboxamide" RELATED [IUPAC] xref: PMID:24168430 {source="Europe PMC"} is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.03272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(N)=O" xsd:string [Term] id: CHEBI:23016 name: carbonates namespace: chebi_ontology def: "Organooxygen compounds that are salts or esters of carbonic acid, H2CO3." [] subset: 3_STAR is_a: CHEBI:36963 ! organooxygen compound relationship: has_functional_parent CHEBI:28976 ! carbonic acid [Term] id: CHEBI:23019 name: carbonyl group namespace: chebi_ontology subset: 3_STAR synonym: ">C=O" RELATED [IUPAC] synonym: "carbonyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbonyl group" EXACT [ChEBI] synonym: "carbonyl group" EXACT [UniProt] is_a: CHEBI:51422 ! organodiyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(*)*" xsd:string [Term] id: CHEBI:23042 name: carotene namespace: chebi_ontology def: "Hydrocarbon carotenoids." [] subset: 3_STAR synonym: "carotene" EXACT [ChEBI] synonym: "carotenes" EXACT IUPAC_NAME [IUPAC] synonym: "carotenes" RELATED [ChEBI] is_a: CHEBI:35193 ! tetraterpene [Term] id: CHEBI:23044 name: carotenoid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "carotenes and carotenoids" RELATED [ChemIDplus] synonym: "carotenoid" EXACT IUPAC_NAME [IUPAC] synonym: "carotenoids" RELATED [ChEBI] xref: CAS:36-88-4 {source="ChemIDplus"} is_a: CHEBI:26935 ! tetraterpenoid relationship: has_parent_hydride CHEBI:23042 ! carotene [Term] id: CHEBI:23045 name: carotenol namespace: chebi_ontology subset: 3_STAR synonym: "carotenols" RELATED [ChEBI] synonym: "hydroxycarotenoids" RELATED [ChEBI] is_a: CHEBI:27325 ! xanthophyll [Term] id: CHEBI:23066 name: cephalosporin namespace: chebi_ontology alt_id: CHEBI:3538 def: "A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy." [] subset: 3_STAR synonym: "cephalosphorin" RELATED [ChEBI] synonym: "cephalosphorins" RELATED [ChEBI] synonym: "Cephalosporin" EXACT [KEGG_COMPOUND] synonym: "cephalosporins" RELATED [ChEBI] xref: KEGG:C00875 xref: PMID:10069359 {source="Europe PMC"} xref: PMID:11936371 {source="Europe PMC"} xref: PMID:12833570 {source="Europe PMC"} xref: PMID:24269048 {source="Europe PMC"} xref: PMID:3320614 {source="Europe PMC"} xref: PMID:6762896 {source="Europe PMC"} xref: PMID:8426246 {source="Europe PMC"} xref: Wikipedia:Cephalosporin is_a: CHEBI:38311 ! cephem relationship: RO:0000087 CHEBI:88188 ! has role drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NO3SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.18500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.99901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O" xsd:string [Term] id: CHEBI:23213 name: choline ester namespace: chebi_ontology alt_id: CHEBI:3666 subset: 3_STAR synonym: "choline esters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester relationship: has_functional_parent CHEBI:15354 ! choline [Term] id: CHEBI:23217 name: cholines namespace: chebi_ontology def: "A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:35267 ! quaternary ammonium ion [Term] id: CHEBI:23229 name: chromanol namespace: chebi_ontology def: "Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups." [] subset: 3_STAR is_a: CHEBI:23230 ! chromanes is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:23230 name: chromanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38443 ! 1-benzopyran [Term] id: CHEBI:23324 name: citrullines namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] id: CHEBI:23333 name: cob(III)alamins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:23334 ! cobalamins [Term] id: CHEBI:23334 name: cobalamins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:176843 ! vitamin B12 is_a: CHEBI:23341 ! cobamides [Term] id: CHEBI:23341 name: cobamides namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide [Term] id: CHEBI:23354 name: coenzyme namespace: chebi_ontology def: "A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons." [] subset: 3_STAR synonym: "coenzyme" EXACT IUPAC_NAME [IUPAC] synonym: "coenzymes" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor [Term] id: CHEBI:23357 name: cofactor namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "cofactor" EXACT [IUPAC] synonym: "cofactors" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Cofactor_(biochemistry) is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:23367 name: molecular entity namespace: chebi_ontology def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." [] subset: 3_STAR synonym: "entidad molecular" RELATED [IUPAC] synonym: "entidades moleculares" RELATED [IUPAC] synonym: "entite moleculaire" RELATED [IUPAC] synonym: "molecular entities" RELATED [IUPAC] synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "molekulare Entitaet" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity [Term] id: CHEBI:23390 name: cobalt-corrinoid hexaamide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33906 ! cobalt corrinoid [Term] id: CHEBI:23443 name: cyclic amide namespace: chebi_ontology alt_id: CHEBI:3990 subset: 3_STAR synonym: "cyclic amide" EXACT [ChEBI] synonym: "cyclic amides" RELATED [ChEBI] is_a: CHEBI:32988 ! amide [Term] id: CHEBI:23509 name: cysteine derivative namespace: chebi_ontology alt_id: CHEBI:25309 def: "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." [] subset: 3_STAR synonym: "cysteine derivative" EXACT [ChEBI] synonym: "cysteine derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:15356 ! cysteine [Term] id: CHEBI:23775 name: dihydroxy-5beta-cholanic acid namespace: chebi_ontology def: "A hydroxy-5beta-cholanic acid carrying two hydroxy groups at unspecified positions." [] subset: 3_STAR synonym: "dihydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid is_a: CHEBI:85184 ! dihydroxycholanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "392.573" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "392.29266" xsd:string [Term] id: CHEBI:23849 name: diterpenoid namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "C20 isoprenoids" RELATED [LIPID_MAPS] synonym: "diterpenoides" RELATED [ChEBI] synonym: "diterpenoids" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_class:LMPR0104 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35190 ! diterpene [Term] id: CHEBI:23888 name: drug namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "drugs" RELATED [ChEBI] synonym: "medicine" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:23905 name: monoatomic anion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:24867 ! monoatomic ion [Term] id: CHEBI:23906 name: monoatomic cation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic cations" RELATED [ChEBI] is_a: CHEBI:24867 ! monoatomic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:23924 name: enzyme inhibitor namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "enzyme inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "enzyme inhibitors" RELATED [ChEBI] synonym: "inhibidor enzimatico" RELATED [ChEBI] synonym: "inhibidores enzimaticos" RELATED [ChEBI] synonym: "inhibiteur enzymatique" RELATED [ChEBI] synonym: "inhibiteurs enzymatiques" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:24020 name: fat-soluble vitamin (role) namespace: chebi_ontology def: "Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess." [] subset: 3_STAR synonym: "fat-soluble vitamin" RELATED [ChEBI] synonym: "fat-soluble vitamins" RELATED [ChEBI] synonym: "fettloesliche Vitamine" RELATED [ChEBI] xref: PMID:31838543 {source="Europe PMC"} xref: PMID:32057251 {source="Europe PMC"} xref: PMID:33549284 {source="Europe PMC"} xref: PMID:34045883 {source="Europe PMC"} is_a: CHEBI:33229 ! vitamin (role) [Term] id: CHEBI:24129 name: furans namespace: chebi_ontology def: "Compounds containing at least one furan ring." [] subset: 3_STAR synonym: "oxacyclopenta-2,4-dienes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:24261 name: glucocorticoid namespace: chebi_ontology def: "Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood." [] subset: 3_STAR synonym: "glucocorticoids" RELATED [ChEBI] is_a: CHEBI:36699 ! corticosteroid hormone [Term] id: CHEBI:24315 name: glutamic acid derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues." [] subset: 3_STAR is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:18237 ! glutamic acid [Term] id: CHEBI:24318 name: glutamine family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class." [] subset: 3_STAR synonym: "glutamine family amino acids" RELATED [ChEBI] xref: PMID:20716061 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:24319 name: EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor namespace: chebi_ontology def: "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2)." [] subset: 3_STAR synonym: "EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.3.1.2 inhibitor" RELATED [ChEBI] synonym: "EC 6.3.1.2 inhibitors" RELATED [ChEBI] synonym: "glutamate--ammonia ligase (EC 6.3.1.2) inhibitor" RELATED [ChEBI] synonym: "glutamate--ammonia ligase (EC 6.3.1.2) inhibitors" RELATED [ChEBI] synonym: "glutamate--ammonia ligase inhibitor" RELATED [ChEBI] synonym: "glutamate--ammonia ligase inhibitors" RELATED [ChEBI] synonym: "glutamine synthetase inhibitor" RELATED [ChEBI] synonym: "glutamine synthetase inhibitors" RELATED [ChEBI] synonym: "glutamylhydroxamic synthetase inhibitor" RELATED [ChEBI] synonym: "glutamylhydroxamic synthetase inhibitors" RELATED [ChEBI] synonym: "L-glutamate:ammonia ligase (ADP-forming) inhibitor" RELATED [ChEBI] synonym: "L-glutamate:ammonia ligase (ADP-forming) inhibitors" RELATED [ChEBI] synonym: "L-glutamine synthetase inhibitor" RELATED [ChEBI] synonym: "L-glutamine synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glutamine_synthetase is_a: CHEBI:76823 ! EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor [Term] id: CHEBI:24373 name: glycine derivative namespace: chebi_ontology def: "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." [] subset: 3_STAR is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:15428 ! glycine [Term] id: CHEBI:24405 name: glycosylglucose namespace: chebi_ontology subset: 3_STAR synonym: "glycosylglucoses" RELATED [ChEBI] is_a: CHEBI:36233 ! disaccharide [Term] id: CHEBI:24407 name: glycosyl glycoside namespace: chebi_ontology def: "Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres." [] subset: 3_STAR synonym: "glycosyl glycoside" EXACT [ChEBI] synonym: "glycosyl glycosides" RELATED [ChEBI] is_a: CHEBI:36233 ! disaccharide [Term] id: CHEBI:24431 name: chemical entity namespace: chebi_ontology def: "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." [] subset: 3_STAR synonym: "chemical entity" EXACT [UniProt] [Term] id: CHEBI:24432 name: biological role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof within a biological context." [] subset: 3_STAR synonym: "biological function" RELATED [ChEBI] is_a: CHEBI:50906 ! role [Term] id: CHEBI:24433 name: group namespace: chebi_ontology def: "A defined linked collection of atoms or a single atom within a molecular entity." [] subset: 3_STAR synonym: "group" EXACT IUPAC_NAME [IUPAC] synonym: "groupe" RELATED [IUPAC] synonym: "grupo" RELATED [IUPAC] synonym: "grupos" RELATED [IUPAC] synonym: "Gruppe" RELATED [ChEBI] synonym: "Rest" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity relationship: has_part CHEBI:33250 ! atom [Term] id: CHEBI:24436 name: guanidines namespace: chebi_ontology def: "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." [] subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:24531 name: heterocyclic antibiotic namespace: chebi_ontology subset: 1_STAR is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24532 ! organic heterocyclic compound relationship: RO:0000087 CHEBI:33281 ! has role antimicrobial agent [Term] id: CHEBI:24532 name: organic heterocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of carbon and at least of one other element." [] subset: 3_STAR synonym: "organic heterocycle" RELATED [ChEBI] synonym: "organic heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:33832 ! organic cyclic compound is_a: CHEBI:5686 ! heterocyclic compound [Term] id: CHEBI:24621 name: hormone namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "endocrine" RELATED [ChEBI] synonym: "hormones" RELATED [ChEBI] is_a: CHEBI:33280 ! molecular messenger is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:24632 name: hydrocarbon namespace: chebi_ontology def: "A compound consisting of carbon and hydrogen only." [] subset: 3_STAR synonym: "hidrocarburo" RELATED [IUPAC] synonym: "hidrocarburos" RELATED [IUPAC] synonym: "hydrocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbure" RELATED [IUPAC] synonym: "Kohlenwasserstoff" RELATED [ChEBI] synonym: "Kohlenwasserstoffe" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:24651 name: hydroxides namespace: chebi_ontology def: "Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-))." [] subset: 3_STAR is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:33608 ! hydrogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_part CHEBI:43176 ! hydroxy group [Term] id: CHEBI:24663 name: hydroxy-5beta-cholanic acid namespace: chebi_ontology def: "Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position." [] subset: 3_STAR synonym: "hydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36248 ! 5beta-cholanic acids relationship: has_functional_parent CHEBI:36238 ! 5beta-cholanic acid [Term] id: CHEBI:24669 name: hydroxy carboxylic acid namespace: chebi_ontology def: "Any carboxylic acid with at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxy carboxylic acids" RELATED [ChEBI] synonym: "hydroxycarboxylic acid" RELATED [ChEBI] synonym: "hydroxycarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:24712 name: hydroxymethyl group namespace: chebi_ontology subset: 3_STAR synonym: "-CH2-OH" RELATED [IUPAC] synonym: "hydroxymethyl" EXACT IUPAC_NAME [IUPAC] synonym: "serine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:17790 ! methanol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.03392" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(*)O" xsd:string [Term] id: CHEBI:24745 name: hydroxypyridine namespace: chebi_ontology def: "Any member of the class of pyridines with at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxypyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:74818 ! heteroaryl hydroxy compound [Term] id: CHEBI:24833 name: oxoacid namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "oxacids" RELATED [ChEBI] synonym: "oxiacids" RELATED [ChEBI] synonym: "oxo acid" RELATED [ChEBI] synonym: "oxoacid" EXACT IUPAC_NAME [IUPAC] synonym: "oxoacids" EXACT IUPAC_NAME [IUPAC] synonym: "oxy-acids" RELATED [ChEBI] synonym: "oxyacids" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24651 ! hydroxides relationship: RO:0000087 CHEBI:39141 ! has role Bronsted acid [Term] id: CHEBI:24834 name: inorganic anion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:24835 name: inorganic molecular entity namespace: chebi_ontology def: "A molecular entity that contains no carbon." [] subset: 3_STAR synonym: "anorganische Verbindungen" RELATED [ChEBI] synonym: "inorganic compounds" RELATED [ChEBI] synonym: "inorganic entity" RELATED [ChEBI] synonym: "inorganic molecular entities" RELATED [ChEBI] synonym: "inorganics" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:24836 name: inorganic oxide namespace: chebi_ontology subset: 3_STAR synonym: "inorganic oxides" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25741 ! oxide [Term] id: CHEBI:24839 name: inorganic salt namespace: chebi_ontology subset: 3_STAR synonym: "anorganisches Salz" RELATED [ChEBI] synonym: "inorganic salts" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:24866 ! salt [Term] id: CHEBI:24866 name: salt namespace: chebi_ontology def: "A salt is an assembly of cations and anions." [] subset: 3_STAR synonym: "ionic compound" RELATED [ChEBI] synonym: "ionic compounds" RELATED [ChEBI] synonym: "sal" RELATED [ChEBI] synonym: "sales" RELATED [ChEBI] synonym: "salt" EXACT IUPAC_NAME [IUPAC] synonym: "salts" RELATED [ChEBI] synonym: "Salz" RELATED [ChEBI] synonym: "Salze" RELATED [ChEBI] synonym: "sel" RELATED [ChEBI] synonym: "sels" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_part CHEBI:22563 ! anion relationship: has_part CHEBI:36916 ! cation [Term] id: CHEBI:24867 name: monoatomic ion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:33238 ! monoatomic entity [Term] id: CHEBI:24868 name: organic salt namespace: chebi_ontology subset: 3_STAR synonym: "organic salts" RELATED [ChEBI] synonym: "organisches Salz" RELATED [ChEBI] is_a: CHEBI:24866 ! salt [Term] id: CHEBI:24870 name: ion namespace: chebi_ontology def: "A molecular entity having a net electric charge." [] subset: 3_STAR synonym: "Ion" EXACT [ChEBI] synonym: "ion" EXACT IUPAC_NAME [IUPAC] synonym: "ion" EXACT [ChEBI] synonym: "Ionen" RELATED [ChEBI] synonym: "iones" RELATED [ChEBI] synonym: "ions" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:24873 name: iron molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iron compounds" RELATED [ChEBI] synonym: "iron molecular entities" RELATED [ChEBI] synonym: "iron molecular entity" EXACT [ChEBI] is_a: CHEBI:33744 ! iron group molecular entity relationship: has_part CHEBI:18248 ! iron atom [Term] id: CHEBI:24875 name: iron cation namespace: chebi_ontology subset: 3_STAR synonym: "Fe cation" RELATED [UniProt] synonym: "iron cation" EXACT IUPAC_NAME [IUPAC] synonym: "iron cations" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:82663 ! elemental iron relationship: RO:0000087 CHEBI:23357 ! has role cofactor property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.845" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93494" xsd:string [Term] id: CHEBI:24898 name: isoleucine namespace: chebi_ontology def: "A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration." [] subset: 3_STAR synonym: "Hile" RELATED [IUPAC] synonym: "isoleucine" EXACT IUPAC_NAME [IUPAC] synonym: "rel-(2R,3R)-2-amino-3-methylpentanoic acid" RELATED [IUPAC] xref: Beilstein:1721790 {source="Beilstein"} xref: CAS:443-79-8 {source="NIST Chemistry WebBook"} xref: CAS:443-79-8 {source="ChemIDplus"} xref: PMID:17190852 {source="Europe PMC"} xref: Reaxys:1721790 {source="Reaxys"} is_a: CHEBI:38264 ! 2-amino-3-methylpentanoic acid relationship: has_part CHEBI:45557 ! sec-butyl group relationship: is_conjugate_acid_of CHEBI:32612 ! isoleucinate relationship: is_conjugate_base_of CHEBI:32613 ! isoleucinium relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.175" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string [Term] id: CHEBI:24913 name: isoprenoid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "isoprenoid" EXACT [ChEBI] synonym: "isoprenoids" EXACT IUPAC_NAME [IUPAC] synonym: "isoprenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR01 {source="LIPID MAPS"} xref: PMID:12769708 {source="Europe PMC"} xref: PMID:19219049 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:24961 name: ketoaldonate namespace: chebi_ontology subset: 3_STAR synonym: "ketoaldonate" EXACT [ChEBI] synonym: "ketoaldonates" RELATED [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion [Term] id: CHEBI:24963 name: ketoaldonic acid namespace: chebi_ontology def: "Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group." [] subset: 3_STAR synonym: "ketoaldonic acid" EXACT [ChEBI] synonym: "ketoaldonic acids" RELATED [ChEBI] is_a: CHEBI:33720 ! carbohydrate acid is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:24973 name: ketohexose namespace: chebi_ontology def: "Any hexose containing a single ketone group." [] subset: 3_STAR synonym: "ketohexose" EXACT [ChEBI] synonym: "ketohexoses" RELATED [ChEBI] is_a: CHEBI:18133 ! hexose is_a: CHEBI:24978 ! ketose [Term] id: CHEBI:24978 name: ketose namespace: chebi_ontology alt_id: CHEBI:6131 def: "Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals." [] subset: 3_STAR synonym: "ketose" EXACT [ChEBI] synonym: "ketoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:24995 name: lactam namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "lactam" EXACT [IUPAC] synonym: "lactams" EXACT IUPAC_NAME [IUPAC] synonym: "lactams" RELATED [ChEBI] synonym: "Laktam" RELATED [ChEBI] synonym: "Laktame" RELATED [ChEBI] is_a: CHEBI:23443 ! cyclic amide is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:25000 name: lactone namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "Lacton" RELATED [ChEBI] synonym: "lactona" RELATED [IUPAC] synonym: "lactonas" RELATED [IUPAC] synonym: "lactone" EXACT IUPAC_NAME [IUPAC] synonym: "lactones" EXACT IUPAC_NAME [IUPAC] synonym: "Lakton" RELATED [ChEBI] synonym: "Laktone" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:25017 name: leucine namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "(+-)-Leucine" RELATED [ChemIDplus] synonym: "(RS)-Leucine" RELATED [ChemIDplus] synonym: "2-amino-4-methylpentanoic acid" RELATED [IUPAC] synonym: "DL-Leucine" RELATED [ChemIDplus] synonym: "Hleu" RELATED [IUPAC] synonym: "L" RELATED [ChEBI] synonym: "Leu" RELATED [ChEBI] synonym: "Leucin" RELATED [ChEBI] synonym: "leucine" EXACT IUPAC_NAME [IUPAC] synonym: "Leuzin" RELATED [ChEBI] xref: Beilstein:636005 {source="Beilstein"} xref: CAS:328-39-2 {source="ChemIDplus"} xref: CAS:328-39-2 {source="NIST Chemistry WebBook"} xref: Gmelin:50203 {source="Gmelin"} xref: KEGG:C16439 xref: LIPID_MAPS_instance:LMFA01100048 {source="LIPID MAPS"} xref: PMID:17439666 {source="Europe PMC"} xref: Reaxys:636005 {source="Reaxys"} xref: Wikipedia:Leucine is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:30356 ! isobutyl group relationship: is_conjugate_acid_of CHEBI:32627 ! leucinate relationship: is_conjugate_base_of CHEBI:32628 ! leucinium relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.17296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(N)C(O)=O" xsd:string [Term] id: CHEBI:25046 name: linear tetrapyrrole namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26932 ! tetrapyrrole [Term] id: CHEBI:25094 name: lysine namespace: chebi_ontology def: "A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6." [] subset: 3_STAR synonym: "2,6-diaminohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,epsilon-diaminocaproic acid" RELATED [ChEBI] synonym: "K" RELATED [ChEBI] synonym: "LYS" RELATED [ChEBI] synonym: "Lysin" RELATED [ChEBI] synonym: "lysine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1616991 {source="Beilstein"} xref: CAS:70-54-2 {source="NIST Chemistry WebBook"} xref: CAS:70-54-2 {source="ChemIDplus"} xref: Gmelin:279284 {source="Gmelin"} xref: KEGG:C16440 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1616991 {source="Reaxys"} xref: Wikipedia:Lysine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:35987 ! diamino acid relationship: has_functional_parent CHEBI:30776 ! hexanoic acid relationship: has_part CHEBI:50339 ! 4-aminobutyl group relationship: is_conjugate_acid_of CHEBI:32563 ! lysinate relationship: is_conjugate_base_of CHEBI:32564 ! lysinium(1+) relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.18764" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCCC(N)C(O)=O" xsd:string [Term] id: CHEBI:25105 name: macrolide antibiotic namespace: chebi_ontology def: "A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity." [] subset: 3_STAR synonym: "macrolide antibiotics" RELATED [ChEBI] synonym: "Makrolidantibiotika" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25106 ! macrolide relationship: RO:0000087 CHEBI:33281 ! has role antimicrobial agent [Term] id: CHEBI:25106 name: macrolide namespace: chebi_ontology def: "A macrocyclic lactone with a ring of twelve or more members derived from a polyketide." [] subset: 3_STAR synonym: "macrolide" EXACT [ChEBI] synonym: "macrolides" EXACT IUPAC_NAME [IUPAC] synonym: "macrolides" RELATED [ChEBI] synonym: "Makrolid" RELATED [ChEBI] xref: Wikipedia:Macrolide is_a: CHEBI:26188 ! polyketide is_a: CHEBI:63944 ! macrocyclic lactone [Term] id: CHEBI:25107 name: magnesium atom namespace: chebi_ontology subset: 3_STAR synonym: "12Mg" RELATED [IUPAC] synonym: "magnesio" RELATED [ChEBI] synonym: "Magnesium" RELATED [ChEBI] synonym: "magnesium" EXACT IUPAC_NAME [IUPAC] synonym: "magnesium" RELATED [ChEBI] synonym: "Mg" RELATED [IUPAC] synonym: "Mg" RELATED [UniProt] xref: CAS:7439-95-4 {source="ChemIDplus"} xref: DrugBank:DB01378 xref: Gmelin:16207 {source="Gmelin"} xref: KEGG:C00305 xref: WebElements:Mg is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22313 ! alkaline earth metal atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYYHWMGAXLPEAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "24.30500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "23.98504" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg]" xsd:string [Term] id: CHEBI:25212 name: metabolite namespace: chebi_ontology alt_id: CHEBI:26619 alt_id: CHEBI:35220 def: "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites." [] subset: 3_STAR synonym: "metabolite" EXACT IUPAC_NAME [IUPAC] synonym: "metabolites" RELATED [ChEBI] synonym: "primary metabolites" RELATED [ChEBI] synonym: "secondary metabolites" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:25213 name: metal cation namespace: chebi_ontology subset: 3_STAR synonym: "a metal cation" RELATED [UniProt] synonym: "metal cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:25216 name: metalloporphyrin namespace: chebi_ontology subset: 3_STAR synonym: "metalloporphyrins" RELATED [ChEBI] synonym: "metaloporphyrins" RELATED [ChEBI] is_a: CHEBI:26214 ! porphyrins is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33909 ! metallotetrapyrrole [Term] id: CHEBI:25274 name: methylamines namespace: chebi_ontology subset: 3_STAR synonym: "methylated amines" RELATED [ChEBI] is_a: CHEBI:22331 ! alkylamines [Term] id: CHEBI:25340 name: methylpyridines namespace: chebi_ontology def: "Any member of the class of pyridines that carries at least one methyl substituent." [] subset: 3_STAR is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:25367 name: molecule namespace: chebi_ontology def: "Any polyatomic entity that is an electrically neutral entity consisting of more than one atom." [] subset: 3_STAR synonym: "molecula" RELATED [IUPAC] synonym: "molecule" EXACT [IUPAC] synonym: "molecules" RELATED [IUPAC] synonym: "Molekuel" RELATED [ChEBI] synonym: "neutral molecular compounds" RELATED [IUPAC] is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:25384 name: monocarboxylic acid namespace: chebi_ontology def: "An oxoacid containing a single carboxy group." [] subset: 3_STAR synonym: "monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35757 ! monocarboxylic acid anion [Term] id: CHEBI:25414 name: monoatomic monocation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic monocations" RELATED [ChEBI] synonym: "monovalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*+]" xsd:string [Term] id: CHEBI:25435 name: mutagen namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "mutagene" RELATED [ChEBI] synonym: "mutagenes" RELATED [ChEBI] synonym: "mutagenic agent" RELATED [ChEBI] synonym: "mutageno" RELATED [ChEBI] synonym: "mutagenos" RELATED [ChEBI] synonym: "mutagens" RELATED [ChEBI] xref: Wikipedia:Mutagen is_a: CHEBI:50902 ! genotoxin [Term] id: CHEBI:25481 name: naphthoquinone namespace: chebi_ontology def: "A polycyclic aromatic ketone metabolite of naphthalene." [] subset: 3_STAR synonym: "naphthoquinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:25512 name: neurotransmitter namespace: chebi_ontology def: "An endogenous compound that is used to transmit information across the synapse between a neuron and another cell." [] subset: 3_STAR synonym: "neurotransmitters" RELATED [ChEBI] xref: Wikipedia:Neurotransmitter is_a: CHEBI:33280 ! molecular messenger [Term] id: CHEBI:25555 name: nitrogen atom namespace: chebi_ontology subset: 3_STAR synonym: "7N" RELATED [IUPAC] synonym: "azote" RELATED [IUPAC] synonym: "N" RELATED [IUPAC] synonym: "nitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen" RELATED [ChEBI] synonym: "nitrogeno" RELATED [ChEBI] synonym: "Stickstoff" RELATED [ChEBI] xref: WebElements:N is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string [Term] id: CHEBI:25558 name: organonitrogen heterocyclic antibiotic namespace: chebi_ontology subset: 3_STAR synonym: "organonitrogen heterocyclic antibiotics" RELATED [ChEBI] is_a: CHEBI:24531 ! heterocyclic antibiotic is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:25585 name: nonmetal atom namespace: chebi_ontology subset: 3_STAR synonym: "Nichtmetall" RELATED [ChEBI] synonym: "Nichtmetalle" RELATED [ChEBI] synonym: "no metal" RELATED [ChEBI] synonym: "no metales" RELATED [ChEBI] synonym: "non-metal" RELATED [ChEBI] synonym: "non-metaux" RELATED [ChEBI] synonym: "nonmetal" EXACT IUPAC_NAME [IUPAC] synonym: "nonmetal" RELATED [ChEBI] synonym: "nonmetals" RELATED [ChEBI] is_a: CHEBI:33250 ! atom [Term] id: CHEBI:25681 name: omega-3 fatty acid namespace: chebi_ontology def: "A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid." [] subset: 3_STAR synonym: "n-3 fatty acid" RELATED [ChEBI] synonym: "n-3 fatty acids" RELATED [ChEBI] synonym: "omega-3 fatty acid" EXACT [ChEBI] synonym: "omega-3 fatty acids" RELATED [ChEBI] xref: PMID:15129302 {source="Europe PMC"} xref: PMID:15253883 {source="Europe PMC"} xref: PMID:15555528 {source="Europe PMC"} xref: PMID:16741195 {source="Europe PMC"} xref: PMID:19154523 {source="Europe PMC"} xref: PMID:19439966 {source="Europe PMC"} xref: PMID:21975796 {source="Europe PMC"} xref: PMID:23643471 {source="Europe PMC"} xref: PMID:24012777 {source="Europe PMC"} xref: PMID:24122252 {source="Europe PMC"} xref: PMID:24128563 {source="Europe PMC"} xref: PMID:24172034 {source="Europe PMC"} xref: PMID:24211484 {source="Europe PMC"} xref: PMID:24240437 {source="Europe PMC"} xref: PMID:24246761 {source="Europe PMC"} xref: PMID:24281905 {source="Europe PMC"} xref: PMID:24397938 {source="Europe PMC"} xref: PMID:24401220 {source="Europe PMC"} xref: PMID:24418228 {source="Europe PMC"} xref: Wikipedia:Omega-3_fatty_acid is_a: CHEBI:59549 ! essential fatty acid relationship: RO:0000087 CHEBI:76507 ! has role marine metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76969 ! has role bacterial metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite [Term] id: CHEBI:25693 name: organic heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heteromonocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33670 ! heteromonocyclic compound [Term] id: CHEBI:25696 name: organic anion namespace: chebi_ontology def: "Any organic ion with a net negative charge." [] subset: 3_STAR synonym: "organic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:25699 ! organic ion [Term] id: CHEBI:25697 name: organic cation namespace: chebi_ontology def: "Any organic ion with a net positive charge." [] subset: 3_STAR synonym: "organic cations" RELATED [ChEBI] is_a: CHEBI:25699 ! organic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:25699 name: organic ion namespace: chebi_ontology subset: 3_STAR synonym: "organic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:25703 name: organic phosphate namespace: chebi_ontology subset: 3_STAR synonym: "organic phosphate" EXACT [ChEBI] synonym: "organic phosphate ester" RELATED [ChEBI] synonym: "organic phosphate esters" RELATED [ChEBI] synonym: "organic phosphates" RELATED [ChEBI] synonym: "organophosphate ester" RELATED [ChEBI] synonym: "organophosphate esters" RELATED [ChEBI] xref: Wikipedia:Organophosphate is_a: CHEBI:25710 ! organophosphorus compound is_a: CHEBI:26020 ! phosphate [Term] id: CHEBI:25704 name: organic sulfate namespace: chebi_ontology def: "Compounds of the general formula SO3HOR where R is an organyl group" [] subset: 3_STAR synonym: "organic sulfates" RELATED [ChEBI] is_a: CHEBI:26820 ! sulfates relationship: is_conjugate_acid_of CHEBI:58958 ! organosulfate oxoanion [Term] id: CHEBI:2571 name: aliphatic alcohol namespace: chebi_ontology def: "An alcohol derived from an aliphatic compound." [] subset: 3_STAR synonym: "Aliphatic alcohol" EXACT [KEGG_COMPOUND] synonym: "aliphatic alcohols" RELATED [ChEBI] synonym: "an aliphatic alcohol" RELATED [UniProt] xref: KEGG:C02525 is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O*" xsd:string [Term] id: CHEBI:25710 name: organophosphorus compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "organophosphorus compound" EXACT [ChEBI] synonym: "organophosphorus compounds" RELATED [ChEBI] xref: Wikipedia:Organophosphorus_compound is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:33285 ! heteroorganic entity [Term] id: CHEBI:25728 name: osmolyte namespace: chebi_ontology def: "A solute used by a cell under water stress to maintain cell volume." [] subset: 3_STAR synonym: "osmolytes" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:25741 name: oxide namespace: chebi_ontology def: "An oxide is a chemical compound of oxygen with other chemical elements." [] subset: 3_STAR synonym: "oxide" EXACT [ChEBI] synonym: "oxides" RELATED [ChEBI] is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:25754 name: oxo carboxylic acid namespace: chebi_ontology def: "Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule." [] subset: 3_STAR synonym: "oxo acids" RELATED [IUPAC] synonym: "oxo carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "oxo carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35903 ! oxo carboxylic acid anion [Term] id: CHEBI:2580 name: unsaturated fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety." [] subset: 3_STAR is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:27208 ! unsaturated fatty acid [Term] id: CHEBI:25805 name: oxygen atom namespace: chebi_ontology subset: 3_STAR synonym: "8O" RELATED [IUPAC] synonym: "O" RELATED [IUPAC] synonym: "oxigeno" RELATED [ChEBI] synonym: "oxygen" EXACT IUPAC_NAME [IUPAC] synonym: "oxygen" RELATED [ChEBI] synonym: "oxygene" RELATED [ChEBI] synonym: "Sauerstoff" RELATED [ChEBI] xref: KEGG:C00007 xref: WebElements:O is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QVGXLLKOCUKJST-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]" xsd:string [Term] id: CHEBI:25806 name: oxygen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "oxygen molecular entities" RELATED [ChEBI] synonym: "oxygen molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:25805 ! oxygen atom [Term] id: CHEBI:25830 name: p-quinones namespace: chebi_ontology def: "A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring." [] subset: 3_STAR synonym: "p-quinone" RELATED [ChEBI] synonym: "para-quinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:25848 name: pantothenic acids namespace: chebi_ontology def: "A class of amides formed from pantoic acid and beta-alanine and its derivatives." [] subset: 3_STAR is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22823 ! beta-alanine derivative is_a: CHEBI:37622 ! carboxamide relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:27314 ! has role water-soluble vitamin (role) [Term] id: CHEBI:25865 name: penicillanic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:35992 ! penams [Term] id: CHEBI:25901 name: pentose namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "pentose" EXACT [ChEBI] synonym: "pentoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:26020 name: phosphate namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "phosphates" EXACT IUPAC_NAME [IUPAC] synonym: "phosphates" RELATED [ChEBI] is_a: CHEBI:26079 ! phosphoric acid derivative [Term] id: CHEBI:26051 name: phosphoamino acid namespace: chebi_ontology subset: 3_STAR synonym: "phosphoamino acids" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:26078 name: phosphoric acid namespace: chebi_ontology def: "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." [] subset: 3_STAR synonym: "[PO(OH)3]" RELATED [IUPAC] synonym: "acide phosphorique" RELATED [ChEBI] synonym: "acidum phosphoricum" RELATED [ChEBI] synonym: "H3PO4" RELATED [IUPAC] synonym: "Orthophosphoric acid" RELATED [KEGG_COMPOUND] synonym: "orthophosphoric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] synonym: "phosphoric acid" EXACT [IUPAC] synonym: "Phosphorsaeure" RELATED [ChEBI] synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1921286 {source="Beilstein"} xref: CAS:7664-38-2 {source="NIST Chemistry WebBook"} xref: CAS:7664-38-2 {source="KEGG COMPOUND"} xref: CAS:7664-38-2 {source="ChemIDplus"} xref: Drug_Central:4478 {source="DrugCentral"} xref: Gmelin:2000 {source="Gmelin"} xref: HMDB:HMDB0002142 xref: KEGG:C00009 xref: KEGG:D05467 xref: KNApSAcK:C00007408 xref: PMID:11455380 {source="Europe PMC"} xref: PMID:15630224 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17518491 {source="Europe PMC"} xref: PMID:22282755 {source="Europe PMC"} xref: PMID:22333268 {source="Europe PMC"} xref: PMID:22381614 {source="Europe PMC"} xref: PMID:22401268 {source="Europe PMC"} xref: Reaxys:1921286 {source="Reaxys"} xref: Wikipedia:Phosphoric_Acid is_a: CHEBI:59698 ! phosphoric acids relationship: is_conjugate_acid_of CHEBI:39745 ! dihydrogenphosphate relationship: RO:0000087 CHEBI:33287 ! has role fertilizer relationship: RO:0000087 CHEBI:46787 ! has role solvent relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "97.99520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.97690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(=O)(O[H])O[H]" xsd:string [Term] id: CHEBI:26079 name: phosphoric acid derivative namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:36359 ! phosphorus oxoacid derivative relationship: has_functional_parent CHEBI:26078 ! phosphoric acid [Term] id: CHEBI:26082 name: phosphorus molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus molecular entities" RELATED [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:28659 ! phosphorus atom [Term] id: CHEBI:26130 name: biological pigment namespace: chebi_ontology def: "An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light." [] subset: 3_STAR synonym: "pigments" RELATED [ChEBI] is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:26167 name: polar amino acid namespace: chebi_ontology alt_id: CHEBI:8283 def: "Any amino acid whose side chain is capable of forming one or more hydrogen bonds." [] subset: 3_STAR synonym: "polar amino acid" EXACT [ChEBI] synonym: "polar amino acids" RELATED [ChEBI] synonym: "polar amino-acid" RELATED [ChEBI] synonym: "polar amino-acids" RELATED [ChEBI] xref: MetaCyc:Polar-amino-acids xref: PMID:12016058 {source="Europe PMC"} is_a: CHEBI:33709 ! amino acid relationship: is_tautomer_of CHEBI:62031 ! polar amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C(*)N)=O" xsd:string [Term] id: CHEBI:26188 name: polyketide namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "polyketide" EXACT [ChEBI] synonym: "polyketides" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:26191 name: polyol namespace: chebi_ontology def: "A compound that contains two or more hydroxy groups." [] subset: 3_STAR synonym: "polyols" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:26208 name: polyunsaturated fatty acid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "polyunsaturated fatty acids" RELATED [ChEBI] synonym: "PUFA" RELATED [ChEBI] synonym: "PUFAs" RELATED [ChEBI] xref: PMID:14977874 {source="Europe PMC"} xref: PMID:16380690 {source="Europe PMC"} xref: PMID:17891522 {source="Europe PMC"} is_a: CHEBI:27208 ! unsaturated fatty acid relationship: is_conjugate_acid_of CHEBI:76567 ! polyunsaturated fatty acid anion [Term] id: CHEBI:26214 name: porphyrins namespace: chebi_ontology def: "Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure." [] subset: 3_STAR synonym: "porphyrins" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Porphyrin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:36309 ! cyclic tetrapyrrole relationship: RO:0000087 CHEBI:23357 ! has role cofactor [Term] id: CHEBI:26216 name: potassium atom namespace: chebi_ontology subset: 3_STAR synonym: "19K" RELATED [IUPAC] synonym: "K" RELATED [IUPAC] synonym: "Kalium" RELATED [ChemIDplus] synonym: "kalium" RELATED [IUPAC] synonym: "potasio" RELATED [ChEBI] synonym: "potassium" EXACT IUPAC_NAME [IUPAC] synonym: "potassium" RELATED [ChEBI] xref: CAS:7440-09-7 {source="ChemIDplus"} xref: DrugBank:DB01345 xref: KEGG:C00238 xref: WebElements:K is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22314 ! alkali metal atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLMJMSJWJFRBEC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96371" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K]" xsd:string [Term] id: CHEBI:26217 name: potassium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "potassium molecular entities" RELATED [ChEBI] synonym: "potassium molecular entity" EXACT [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:26216 ! potassium atom [Term] id: CHEBI:26255 name: prenylquinone namespace: chebi_ontology alt_id: CHEBI:72751 def: "A quinone substituted by a polyprenyl-derived side-chain. Prenylquinones occur in all living cells. Due to their amphiphilic character, they are mainly located in biological membranes where they function as electron and proton carriers in the photosynthetic and respiratory electron transport chains. Some prenylquinones also perform more specialised roles sucy as antioxidants and enzyme cofactors. Prenylquinones are classified according to ring structure: the main classes are menaquinones, phylloquinones, ubiquinones and plastoquinones." [] subset: 3_STAR synonym: "polyprenylquinone" RELATED [ChEBI] synonym: "polyprenylquinones" RELATED [ChEBI] synonym: "prenylquinones" RELATED [ChEBI] xref: PMID:19928587 {source="Europe PMC"} xref: PMID:21777468 {source="Europe PMC"} xref: PMID:21844348 {source="Europe PMC"} xref: PMID:22371323 {source="Europe PMC"} xref: PMID:3985624 {source="Europe PMC"} is_a: CHEBI:25830 ! p-quinones [Term] id: CHEBI:26348 name: prosthetic group namespace: chebi_ontology def: "A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity." [] subset: 3_STAR synonym: "groupe prosthetique" RELATED [IUPAC] synonym: "prosthetic group" EXACT IUPAC_NAME [IUPAC] synonym: "prosthetic groups" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor [Term] id: CHEBI:26373 name: pteridines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26375 name: pterins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26373 ! pteridines [Term] id: CHEBI:26401 name: purines namespace: chebi_ontology alt_id: CHEBI:13678 def: "A class of imidazopyrimidines that consists of purine and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:35875 ! imidazopyrimidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5N4R7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.01230" xsd:string [Term] id: CHEBI:26416 name: pyridine alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "pyridine alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:26420 name: pyridinemonocarboxylic acid namespace: chebi_ontology def: "A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring." [] subset: 3_STAR synonym: "pyridinemonocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:26421 ! pyridines is_a: CHEBI:33859 ! aromatic carboxylic acid relationship: is_conjugate_acid_of CHEBI:38181 ! pyridinemonocarboxylate [Term] id: CHEBI:26421 name: pyridines namespace: chebi_ontology def: "Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26432 name: pyrimidine nucleobase namespace: chebi_ontology def: "A nucleobase whose skeleton is derived from pyrimidine." [] subset: 3_STAR synonym: "a pyrimidine nucleobase" RELATED [UniProt] synonym: "pyrimidine bases" RELATED [ChEBI] synonym: "pyrimidine nucleobase" EXACT [ChEBI] synonym: "pyrimidine nucleobases" RELATED [ChEBI] is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:39447 ! pyrimidines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4HN2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "77.064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.01397" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1C(=C(C(=NC1=*)*)*)*" xsd:string [Term] id: CHEBI:26440 name: pyrimidine nucleoside namespace: chebi_ontology subset: 3_STAR synonym: "N-D-Ribosylpyrimidine" RELATED [KEGG_COMPOUND] synonym: "pyrimidine nucleosides" RELATED [ChEBI] xref: KEGG:C03169 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:26469 name: quaternary nitrogen compound namespace: chebi_ontology def: "A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen." [] subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound relationship: has_part CHEBI:35267 ! quaternary ammonium ion [Term] id: CHEBI:26537 name: retinoid namespace: chebi_ontology def: "Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof." [] subset: 3_STAR synonym: "retinoid" EXACT [ChEBI] synonym: "retinoids" EXACT IUPAC_NAME [IUPAC] synonym: "retinoids" RELATED [ChEBI] is_a: CHEBI:23849 ! diterpenoid [Term] id: CHEBI:26607 name: saturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess." [] subset: 3_STAR synonym: "saturated fatty acid" EXACT [ChEBI] synonym: "saturated fatty acids" RELATED [ChEBI] synonym: "SFA" RELATED [ChEBI] synonym: "SFAs" RELATED [ChEBI] xref: PMID:16492686 {source="Europe PMC"} xref: PMID:19763019 {source="Europe PMC"} xref: PMID:20237329 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:26650 name: serine family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class." [] subset: 3_STAR synonym: "3-phosphoglycerate family amino acid" RELATED [ChEBI] synonym: "3-phosphoglycerate family amino acids" RELATED [ChEBI] synonym: "serine family amino acids" RELATED [ChEBI] xref: PMID:20709681 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:26666 name: short-chain fatty acid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "SCFA" RELATED [ChEBI] synonym: "SCFAs" RELATED [ChEBI] synonym: "short-chain fatty acids" RELATED [ChEBI] xref: PMID:16633129 {source="Europe PMC"} xref: PMID:16870803 {source="Europe PMC"} xref: PMID:18203540 {source="Europe PMC"} xref: PMID:20148677 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58951 ! short-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:26708 name: sodium atom namespace: chebi_ontology subset: 3_STAR synonym: "11Na" RELATED [IUPAC] synonym: "Na" RELATED [IUPAC] synonym: "Natrium" RELATED [ChemIDplus] synonym: "natrium" RELATED [IUPAC] synonym: "sodio" RELATED [ChemIDplus] synonym: "sodium" EXACT IUPAC_NAME [IUPAC] synonym: "sodium" RELATED [ChEBI] xref: CAS:7440-23-5 {source="ChemIDplus"} xref: Gmelin:16221 {source="Gmelin"} xref: KEGG:C01330 xref: WebElements:Na is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22314 ! alkali metal atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEAYESYHFKHZAL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na]" xsd:string [Term] id: CHEBI:26712 name: sodium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "sodium compounds" RELATED [ChEBI] synonym: "sodium molecular entities" RELATED [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:26708 ! sodium atom [Term] id: CHEBI:26714 name: sodium salt namespace: chebi_ontology def: "Any alkali metal salt having sodium(1+) as the cation." [] subset: 3_STAR synonym: "Natriumsalz" RELATED [ChEBI] synonym: "Natriumsalze" RELATED [ChEBI] synonym: "sodium salts" RELATED [ChEBI] is_a: CHEBI:26712 ! sodium molecular entity is_a: CHEBI:35479 ! alkali metal salt relationship: has_part CHEBI:29101 ! sodium(1+) [Term] id: CHEBI:26764 name: steroid hormone namespace: chebi_ontology def: "Any steroid that acts as hormone." [] subset: 3_STAR synonym: "hormona esteroide" RELATED [ChEBI] synonym: "hormonas esteroideas" RELATED [ChEBI] synonym: "hormone steroide" RELATED [ChEBI] synonym: "hormones steroides" RELATED [ChEBI] synonym: "steroid hormones" RELATED [ChEBI] synonym: "Steroidhormon" RELATED [ChEBI] synonym: "Steroidhormone" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35341 ! steroid relationship: RO:0000087 CHEBI:24621 ! has role hormone [Term] id: CHEBI:26819 name: sulfuric ester namespace: chebi_ontology def: "An ester of an alcohol and sulfuric acid." [] subset: 3_STAR synonym: "sulfate ester" RELATED [ChEBI] synonym: "sulfuric acid ester" RELATED [ChEBI] synonym: "sulfuric acid esters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester is_a: CHEBI:37826 ! sulfuric acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OS(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:26820 name: sulfates namespace: chebi_ontology def: "Salts and esters of sulfuric acid" [] subset: 3_STAR synonym: "sulfates" EXACT [ChEBI] synonym: "sulfuric acid derivative" RELATED [ChEBI] synonym: "sulphates" RELATED [ChEBI] is_a: CHEBI:37826 ! sulfuric acid derivative [Term] id: CHEBI:26830 name: sulfonium compound namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:26833 name: sulfur atom namespace: chebi_ontology subset: 3_STAR synonym: "16S" RELATED [IUPAC] synonym: "azufre" RELATED [ChEBI] synonym: "Elemental sulfur" RELATED [KEGG_COMPOUND] synonym: "S" RELATED [KEGG_COMPOUND] synonym: "S" RELATED [IUPAC] synonym: "Schwefel" RELATED [ChEBI] synonym: "soufre" RELATED [ChEBI] synonym: "sulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfur" RELATED [ChEBI] synonym: "sulfur" RELATED [UniProt] synonym: "sulphur" RELATED [ChEBI] synonym: "theion" RELATED [IUPAC] xref: CAS:7704-34-9 {source="ChemIDplus"} xref: CAS:7704-34-9 {source="NIST Chemistry WebBook"} xref: KEGG:C00087 xref: KEGG:D06527 xref: PPDB:605 xref: WebElements:S is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NINIDFKCEFEMDL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S]" xsd:string [Term] id: CHEBI:26834 name: sulfur-containing amino acid namespace: chebi_ontology subset: 3_STAR synonym: "sulfur-containing amino acids" RELATED [ChEBI] is_a: CHEBI:33576 ! sulfur-containing carboxylic acid is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63470 ! sulfur-containing amino-acid anion [Term] id: CHEBI:26835 name: sulfur molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "sulfur molecular entities" RELATED [ChEBI] synonym: "sulfur molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:26833 ! sulfur atom [Term] id: CHEBI:26836 name: sulfuric acid namespace: chebi_ontology def: "A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom." [] subset: 3_STAR synonym: "[S(OH)2O2]" RELATED [MolBase] synonym: "[SO2(OH)2]" RELATED [IUPAC] synonym: "Acide sulfurique" RELATED [ChemIDplus] synonym: "Acido sulfurico" RELATED [ChemIDplus] synonym: "Acidum sulfuricum" RELATED [ChemIDplus] synonym: "dihydrogen tetraoxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2SO4" RELATED [IUPAC] synonym: "hydrogen tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "Schwefelsaeureloesungen" RELATED [ChemIDplus] synonym: "Sulfuric acid" EXACT [KEGG_COMPOUND] synonym: "sulfuric acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulfuric acid" EXACT [ChEBI] synonym: "sulphuric acid" RELATED [MolBase] synonym: "tetraoxosulfuric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7664-93-9 {source="ChemIDplus"} xref: CAS:7664-93-9 {source="KEGG COMPOUND"} xref: CAS:7664-93-9 {source="NIST Chemistry WebBook"} xref: Gmelin:2122 {source="Gmelin"} xref: KEGG:C00059 xref: KEGG:D05963 xref: KNApSAcK:C00007530 xref: MolBase:4 xref: PMID:13568755 {source="Europe PMC"} xref: PMID:16122922 {source="Europe PMC"} xref: PMID:19397353 {source="Europe PMC"} xref: PMID:22047659 {source="Europe PMC"} xref: PMID:22136045 {source="Europe PMC"} xref: PMID:22204399 {source="Europe PMC"} xref: PMID:22267186 {source="Europe PMC"} xref: PMID:22296037 {source="Europe PMC"} xref: PMID:22364556 {source="Europe PMC"} xref: PMID:22435616 {source="Europe PMC"} xref: PPDB:606 xref: Reaxys:2037554 {source="Reaxys"} xref: Wikipedia:Sulfuric_acid is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:45696 ! hydrogensulfate relationship: RO:0000087 CHEBI:35223 ! has role catalyst property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.07948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.96738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OS(=O)(=O)O[H]" xsd:string [Term] id: CHEBI:26873 name: terpenoid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "Terpenoid" EXACT [ChEBI] synonym: "terpenoide" RELATED [IUPAC] synonym: "terpenoides" RELATED [IUPAC] synonym: "terpenoids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Terpenoid is_a: CHEBI:24913 ! isoprenoid relationship: has_parent_hydride CHEBI:35186 ! terpene [Term] id: CHEBI:26878 name: tertiary alcohol namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "tertiary alcohol" EXACT [ChEBI] synonym: "tertiary alcohols" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7OR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.09780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.04969" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C[*])(C[*])C[*]" xsd:string [Term] id: CHEBI:26895 name: tetracyclines namespace: chebi_ontology def: "A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups." [] subset: 3_STAR is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26188 ! polyketide relationship: has_parent_hydride CHEBI:32600 ! tetracene relationship: RO:0000087 CHEBI:25212 ! has role metabolite [Term] id: CHEBI:26912 name: oxolanes namespace: chebi_ontology def: "Any oxacycle having an oxolane (tetrahydrofuran) skeleton." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:26932 name: tetrapyrrole namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "a tetrapyrrole" RELATED [UniProt] synonym: "tetrapyrrole" EXACT IUPAC_NAME [IUPAC] synonym: "tetrapyrroles" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38077 ! polypyrrole [Term] id: CHEBI:26935 name: tetraterpenoid namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "C40 isoprenoids" RELATED [LIPID_MAPS] synonym: "tetraterpenoides" RELATED [ChEBI] synonym: "tetraterpenoids" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_class:LMPR0107 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35193 ! tetraterpene [Term] id: CHEBI:26948 name: vitamin B1 namespace: chebi_ontology def: "Any member of the group of 1,3-thiazolium cations that exhibit biological activity against vitamin B1 deficiency in animals. Symptoms of vitamin B1 deficiency include constipation, loss of apetite, fatigue, nausea, delirium, blurry vision and muscle weakness. Severe vitamin B1 deficiency can also lead to a disease known as beriberi. Vitamin B1 consists of the vitamer thiamin and its acid, aldehyde and phosphorylated derivatives (and their corresponding ionized, salt and hydrate forms)." [] subset: 3_STAR synonym: "thiamine" RELATED [ChEBI] synonym: "thiamines" RELATED [ChEBI] synonym: "thiamins" RELATED [ChEBI] synonym: "vitamin B1" EXACT [ChEBI] synonym: "vitamin B1 vitamer" RELATED [ChEBI] synonym: "vitamin B1 vitamers" RELATED [ChEBI] synonym: "vitamins B1" RELATED [ChEBI] xref: PMID:28859374 {source="Europe PMC"} xref: PMID:32554808 {source="Europe PMC"} is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:63048 ! 1,3-thiazolium cation is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:26979 name: organic heterotricyclic compound namespace: chebi_ontology def: "An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms." [] subset: 3_STAR synonym: "heterotricyclic compounds" RELATED [ChEBI] synonym: "organic heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:36688 ! heterotricyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound is_a: CHEBI:51959 ! organic tricyclic compound [Term] id: CHEBI:27024 name: toluenes namespace: chebi_ontology def: "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes [Term] id: CHEBI:27027 name: micronutrient namespace: chebi_ontology def: "Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions." [] subset: 3_STAR synonym: "micronutrients" RELATED [ChEBI] synonym: "trace elements" RELATED [ChEBI] xref: Wikipedia:Micronutrient is_a: CHEBI:33284 ! nutrient [Term] id: CHEBI:27081 name: transition element atom namespace: chebi_ontology def: "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell." [] subset: 3_STAR synonym: "metal de transicion" RELATED [ChEBI] synonym: "metal de transition" RELATED [ChEBI] synonym: "metales de transicion" RELATED [ChEBI] synonym: "metaux de transition" RELATED [ChEBI] synonym: "transition element" EXACT IUPAC_NAME [IUPAC] synonym: "transition element" RELATED [ChEBI] synonym: "transition elements" RELATED [ChEBI] synonym: "transition metal" RELATED [ChEBI] synonym: "transition metals" RELATED [ChEBI] synonym: "Uebergangselement" RELATED [ChEBI] synonym: "Uebergangsmetalle" RELATED [ChEBI] is_a: CHEBI:33521 ! metal atom [Term] id: CHEBI:27114 name: trihydroxy-5beta-cholanic acid namespace: chebi_ontology subset: 3_STAR synonym: "trihydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "408.572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "408.28757" xsd:string [Term] id: CHEBI:27136 name: triol namespace: chebi_ontology def: "A chemical compound containing three hydroxy groups." [] subset: 3_STAR synonym: "triols" RELATED [ChEBI] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:27171 name: organic heterobicyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterobicyclic compounds" RELATED [ChEBI] synonym: "organic heterobicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33672 ! heterobicyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:27207 name: univalent carboacyl group namespace: chebi_ontology def: "A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR synonym: "univalent acyl group" RELATED [ChEBI] synonym: "univalent carboacyl groups" RELATED [ChEBI] synonym: "univalent carboxylic acyl groups" RELATED [ChEBI] is_a: CHEBI:37838 ! carboacyl group [Term] id: CHEBI:27208 name: unsaturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing at least one C=C or C#C bond." [] subset: 3_STAR synonym: "alkene acid" RELATED [ChEBI] synonym: "olefinic acid" RELATED [ChEBI] synonym: "unsaturated fatty acids" RELATED [LIPID_MAPS] synonym: "unsaturated fatty acids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMFA0103 {source="LIPID MAPS"} xref: PMID:5322381 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:2580 ! unsaturated fatty acid anion [Term] id: CHEBI:27242 name: uridines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:39446 ! pyrimidine ribonucleosides relationship: has_functional_parent CHEBI:17568 ! uracil [Term] id: CHEBI:27266 name: valine namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "2-amino-3-methylbutanoic acid" RELATED [IUPAC] synonym: "DL-valine" RELATED [ChEBI] synonym: "Hval" RELATED [IUPAC] synonym: "Valin" RELATED [ChEBI] synonym: "valina" RELATED [ChEBI] synonym: "valine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:506689 {source="Beilstein"} xref: CAS:516-06-3 {source="ChemIDplus"} xref: CAS:516-06-3 {source="NIST Chemistry WebBook"} xref: CAS:516-06-3 {source="KEGG COMPOUND"} xref: Gmelin:49877 {source="Gmelin"} xref: KEGG:C16436 xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:506689 {source="Reaxys"} xref: Wikipedia:Valine is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:30353 ! isopropyl group relationship: is_conjugate_acid_of CHEBI:32859 ! valinate relationship: is_conjugate_base_of CHEBI:32860 ! valinium relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(N)C(O)=O" xsd:string [Term] id: CHEBI:27300 name: vitamin D namespace: chebi_ontology def: "Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body." [] subset: 3_STAR synonym: "D vitamins" RELATED [ChEBI] synonym: "vitamin D vitamer" RELATED [ChEBI] synonym: "vitamin D vitamers" RELATED [ChEBI] synonym: "vitamin Ds" RELATED [ChEBI] synonym: "vitamins D" RELATED [ChEBI] xref: MetaCyc:Vitamin-D xref: Wikipedia:Vitamin_D is_a: BFO:0000004 ! independent continuant is_a: CHEBI:36853 ! hydroxy seco-steroid relationship: RO:0000087 CHEBI:24020 ! has role fat-soluble vitamin (role) [Term] id: CHEBI:27306 name: vitamin B6 namespace: chebi_ontology def: "Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms)." [] subset: 3_STAR synonym: "vitamin B-6" RELATED [JCBN] synonym: "Vitamin B6" EXACT [ChEBI] synonym: "vitamin B6 vitamer" RELATED [ChEBI] synonym: "vitamin B6 vitamers" RELATED [ChEBI] synonym: "vitamina B6" RELATED [ChEBI] synonym: "vitamine B6" RELATED [ChEBI] synonym: "vitamins B6" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:27314 name: water-soluble vitamin (role) namespace: chebi_ontology def: "Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine." [] subset: 3_STAR synonym: "wasserloesliche Vitamine" RELATED [ChEBI] synonym: "water-soluble vitamin" RELATED [ChEBI] synonym: "water-soluble vitamins" RELATED [ChEBI] is_a: CHEBI:33229 ! vitamin (role) [Term] id: CHEBI:27325 name: xanthophyll namespace: chebi_ontology def: "A subclass of carotenoids consisting of the oxygenated carotenes." [] subset: 3_STAR synonym: "xanthophylls" EXACT IUPAC_NAME [IUPAC] synonym: "xanthophylls" RELATED [ChEBI] xref: DrugBank:DB00137 is_a: CHEBI:23044 ! carotenoid [Term] id: CHEBI:27363 name: zinc atom namespace: chebi_ontology subset: 3_STAR synonym: "30Zn" RELATED [IUPAC] synonym: "cinc" RELATED [ChEBI] synonym: "zinc" EXACT IUPAC_NAME [IUPAC] synonym: "zinc" RELATED [ChEBI] synonym: "zincum" RELATED [ChEBI] synonym: "Zink" RELATED [ChEBI] synonym: "Zn" RELATED [IUPAC] synonym: "Zn(II)" RELATED [KEGG_COMPOUND] synonym: "Zn2+" RELATED [KEGG_COMPOUND] xref: CAS:7440-66-6 {source="ChemIDplus"} xref: CAS:7440-66-6 {source="KEGG COMPOUND"} xref: Gmelin:16321 {source="Gmelin"} xref: KEGG:C00038 xref: PDBeChem:ZN xref: WebElements:Zn is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33340 ! zinc group element atom relationship: RO:0000087 CHEBI:27027 ! has role micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCHKCACWOHOZIP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "65.39000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.92914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn]" xsd:string [Term] id: CHEBI:27364 name: zinc molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc compounds" RELATED [ChEBI] synonym: "zinc molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:27363 ! zinc atom [Term] id: CHEBI:27369 name: zwitterion namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "compose zwitterionique" RELATED [IUPAC] synonym: "compuestos zwitterionicos" RELATED [IUPAC] synonym: "zwitterion" EXACT IUPAC_NAME [IUPAC] synonym: "zwitteriones" RELATED [IUPAC] synonym: "zwitterionic compounds" RELATED [IUPAC] synonym: "zwitterions" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51151 ! dipolar compound [Term] id: CHEBI:27470 name: folic acid namespace: chebi_ontology alt_id: CHEBI:24075 alt_id: CHEBI:42610 alt_id: CHEBI:5140 alt_id: CHEBI:569217 def: "An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation." [] subset: 3_STAR synonym: "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid" RELATED [IUPAC] synonym: "Acfol" RELATED BRAND_NAME [ChemIDplus] synonym: "acide folique" RELATED INN [WHO_MedNet] synonym: "acido folico" RELATED INN [WHO_MedNet] synonym: "acidum folicum" RELATED INN [WHO_MedNet] synonym: "Folate" RELATED [KEGG_COMPOUND] synonym: "folic acid" RELATED INN [WHO_MedNet] synonym: "Folicet" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Folsaeure" RELATED [ChEBI] synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid" RELATED [PDBeChem] synonym: "N-pteroyl-L-glutamic acid" RELATED [ChEBI] synonym: "PGA" RELATED [NIST_Chemistry_WebBook] synonym: "PteGlu" RELATED [NIST_Chemistry_WebBook] synonym: "pteroyl-L-glutamic acid" RELATED [ChemIDplus] synonym: "pteroyl-L-monoglutamic acid" RELATED [ChemIDplus] synonym: "pteroylglutamic acid" RELATED [KEGG_COMPOUND] synonym: "pteroylmonoglutamic acid" RELATED [ChemIDplus] synonym: "vitamin B11" RELATED [ChemIDplus] synonym: "vitamin B9" RELATED [ChemIDplus] synonym: "vitamin Bc" RELATED [ChemIDplus] synonym: "vitamin Be" RELATED [ChemIDplus] synonym: "vitamin M" RELATED [ChemIDplus] xref: AGR:IND606960789 {source="Europe PMC"} xref: Beilstein:100781 {source="Beilstein"} xref: CAS:59-30-3 {source="KEGG COMPOUND"} xref: CAS:59-30-3 {source="NIST Chemistry WebBook"} xref: CAS:59-30-3 {source="ChemIDplus"} xref: Chemspider:5815 xref: Drug_Central:1231 {source="DrugCentral"} xref: DrugBank:DB00158 xref: FooDB:FDB014504 xref: HMDB:HMDB0000121 xref: KEGG:C00504 xref: KEGG:D00070 xref: KNApSAcK:C00001539 xref: LINCS:LSM-5355 xref: MetaCyc:CPD-12826 xref: PDBeChem:FOL xref: PMID:10138938 {source="Europe PMC"} xref: PMID:10897644 {source="Europe PMC"} xref: PMID:10958818 {source="Europe PMC"} xref: PMID:11261364 {source="Europe PMC"} xref: PMID:11451208 {source="Europe PMC"} xref: PMID:11959400 {source="Europe PMC"} xref: PMID:14387833 {source="Europe PMC"} xref: PMID:15321809 {source="Europe PMC"} xref: PMID:15523939 {source="Europe PMC"} xref: PMID:15754725 {source="Europe PMC"} xref: PMID:15797531 {source="Europe PMC"} xref: PMID:15797685 {source="Europe PMC"} xref: PMID:15831910 {source="Europe PMC"} xref: PMID:15990733 {source="Europe PMC"} xref: PMID:16093404 {source="Europe PMC"} xref: PMID:16277678 {source="Europe PMC"} xref: PMID:16380297 {source="Europe PMC"} xref: PMID:16871332 {source="Europe PMC"} xref: PMID:17784727 {source="Europe PMC"} xref: PMID:18788725 {source="ChEMBL"} xref: PMID:19121630 {source="Europe PMC"} xref: PMID:19335717 {source="Europe PMC"} xref: PMID:19355913 {source="Europe PMC"} xref: PMID:24650098 {source="Europe PMC"} xref: PMID:33624660 {source="Europe PMC"} xref: PMID:33965562 {source="Europe PMC"} xref: PMID:33968971 {source="Europe PMC"} xref: PMID:34207319 {source="Europe PMC"} xref: PMID:34219855 {source="Europe PMC"} xref: PMID:7738698 {source="Europe PMC"} xref: PMID:8235383 {source="Europe PMC"} xref: PMID:9040515 {source="Europe PMC"} xref: PMID:9420019 {source="Europe PMC"} xref: PMID:9565830 {source="Europe PMC"} xref: PMID:9683174 {source="Europe PMC"} xref: PMID:9781393 {source="Europe PMC"} xref: PMID:9808640 {source="Europe PMC"} xref: PMID:9808641 {source="Europe PMC"} xref: Reaxys:100781 {source="Reaxys"} xref: Wikipedia:Folic_Acid is_a: CHEBI:37445 ! folic acids is_a: CHEBI:51569 ! N-acyl-amino acid relationship: has_functional_parent CHEBI:38794 ! pteroic acid relationship: is_conjugate_acid_of CHEBI:62501 ! folate(2-) relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H19N7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "441.39750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "441.13968" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:27568 name: selenium atom namespace: chebi_ontology alt_id: CHEBI:26627 alt_id: CHEBI:9091 subset: 3_STAR synonym: "34Se" RELATED [IUPAC] synonym: "Se" RELATED [IUPAC] synonym: "Selen" RELATED [ChemIDplus] synonym: "selenio" RELATED [ChEBI] synonym: "Selenium" RELATED [KEGG_COMPOUND] synonym: "selenium" EXACT IUPAC_NAME [IUPAC] synonym: "selenium" RELATED [ChEBI] xref: CAS:7782-49-2 {source="ChemIDplus"} xref: CAS:7782-49-2 {source="NIST Chemistry WebBook"} xref: DrugBank:DB11135 xref: FooDB:FDB013400 xref: HMDB:HMDB0001349 xref: KEGG:C01529 xref: WebElements:Se xref: Wikipedia:Selenium is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUGBHKTXTAQXES-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.96000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.91652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Se]" xsd:string [Term] id: CHEBI:27594 name: carbon atom namespace: chebi_ontology alt_id: CHEBI:23009 alt_id: CHEBI:3399 subset: 3_STAR synonym: "6C" RELATED [IUPAC] synonym: "C" RELATED [KEGG_COMPOUND] synonym: "C" RELATED [IUPAC] synonym: "Carbon" RELATED [KEGG_COMPOUND] synonym: "carbon" EXACT IUPAC_NAME [IUPAC] synonym: "carbon" RELATED [ChEBI] synonym: "carbone" RELATED [ChEBI] synonym: "carbonium" RELATED [ChEBI] synonym: "carbono" RELATED [ChEBI] synonym: "Kohlenstoff" RELATED [ChEBI] xref: CAS:7440-44-0 {source="ChemIDplus"} xref: CAS:7440-44-0 {source="KEGG COMPOUND"} xref: KEGG:C06265 xref: WebElements:C is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33306 ! carbon group element atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "12.01070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "12.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C]" xsd:string [Term] id: CHEBI:27638 name: cobalt atom namespace: chebi_ontology alt_id: CHEBI:23335 alt_id: CHEBI:3788 def: "A cobalt group element atom that has atomic number 27." [] subset: 3_STAR synonym: "27Co" RELATED [IUPAC] synonym: "Co" RELATED [UniProt] synonym: "Co" RELATED [IUPAC] synonym: "Cobalt" RELATED [KEGG_COMPOUND] synonym: "cobalt" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt" RELATED [ChEBI] synonym: "cobalto" RELATED [ChEBI] synonym: "cobaltum" RELATED [ChEBI] synonym: "Kobalt" RELATED [NIST_Chemistry_WebBook] xref: CAS:7440-48-4 {source="NIST Chemistry WebBook"} xref: CAS:7440-48-4 {source="ChemIDplus"} xref: CAS:7440-48-4 {source="KEGG COMPOUND"} xref: KEGG:C00175 xref: KEGG:C19171 xref: PDBeChem:3CO xref: WebElements:Co is_a: CHEBI:33358 ! cobalt group element atom is_a: CHEBI:88184 ! metal allergen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Co" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Co" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUTLYIVDDKVIGB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.93320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.93319" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Co]" xsd:string [Term] id: CHEBI:27780 name: detergent namespace: chebi_ontology alt_id: CHEBI:23648 alt_id: CHEBI:4456 def: "A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions." [] subset: 3_STAR synonym: "detergent" EXACT IUPAC_NAME [IUPAC] synonym: "Detergents" RELATED [KEGG_COMPOUND] xref: KEGG:C01689 is_a: CHEBI:33232 ! application is_a: CHEBI:35195 ! surfactant [Term] id: CHEBI:27786 name: hydroxocobalamin namespace: chebi_ontology alt_id: CHEBI:24652 alt_id: CHEBI:5795 alt_id: CHEBI:5803 subset: 3_STAR synonym: "AlphaRedisol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide" EXACT IUPAC_NAME [IUPAC] synonym: "Cyanokit" RELATED BRAND_NAME [KEGG_DRUG] synonym: "hidroxocobalamina" RELATED INN [WHO_MedNet] synonym: "hydroxocobalamin" RELATED INN [WHO_MedNet] synonym: "hydroxocobalamine" RELATED INN [WHO_MedNet] synonym: "hydroxocobalaminum" RELATED INN [WHO_MedNet] synonym: "Hydroxycobalamin" RELATED [KEGG_COMPOUND] synonym: "OH-Cbl" RELATED [CBN] synonym: "vitamin B-12b" RELATED [CBN] xref: CAS:13422-51-0 {source="ChemIDplus"} xref: CAS:13422-51-0 {source="KEGG COMPOUND"} xref: Chemspider:28534326 xref: DrugBank:DB00200 xref: FooDB:FDB003166 xref: Gmelin:5723 {source="Gmelin"} xref: HMDB:HMDB0002308 xref: KEGG:C08230 xref: KEGG:D01027 xref: KNApSAcK:C00050467 xref: MetaCyc:CPD0-1256 xref: PMID:11830394 {source="Europe PMC"} xref: PMID:15815367 {source="Europe PMC"} xref: PMID:20352539 {source="Europe PMC"} xref: PMID:31000316 {source="Europe PMC"} xref: PMID:31864779 {source="Europe PMC"} xref: PMID:32718732 {source="Europe PMC"} xref: PMID:32815652 {source="Europe PMC"} xref: PMID:33005568 {source="Europe PMC"} xref: PMID:33224611 {source="Europe PMC"} xref: PMID:33246585 {source="Europe PMC"} xref: PMID:33283331 {source="Europe PMC"} xref: PMID:33444605 {source="Europe PMC"} xref: PMID:33692053 {source="Europe PMC"} xref: PMID:33754111 {source="Europe PMC"} xref: PMID:33912838 {source="Europe PMC"} xref: PMID:34023033 {source="Europe PMC"} xref: PMID:34176677 {source="Europe PMC"} xref: PMID:7802338 {source="Europe PMC"} xref: PMID:8012169 {source="Europe PMC"} xref: PMID:8440794 {source="Europe PMC"} xref: PMID:8857117 {source="Europe PMC"} xref: PMID:9102519 {source="Europe PMC"} xref: Wikipedia:Hydroxocobalamin is_a: CHEBI:23334 ! cobalamins relationship: is_conjugate_base_of CHEBI:15852 ! aquacob(III)alamin relationship: RO:0000087 CHEBI:75835 ! has role anti-anaemic agent relationship: RO:0000087 CHEBI:90749 ! has role antidote to cyanide poisoning property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C62H89CoN13O15P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YOZNUFWCRFCGIH-WZHZPDAFSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1346.35510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1345.56706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]3[C@@H](O)[C@H](O[C@@H]3CO)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O" xsd:string [Term] id: CHEBI:27902 name: tetracycline namespace: chebi_ontology alt_id: CHEBI:26894 alt_id: CHEBI:45729 alt_id: CHEBI:9474 def: "A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria." [] subset: 3_STAR synonym: "(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide" RELATED [ChemIDplus] synonym: "(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "Abramycin" RELATED [ChemIDplus] synonym: "Achromycin" RELATED [ChEBI] synonym: "Anhydrotetracycline" RELATED [DrugBank] synonym: "Deschlorobiomycin" RELATED [ChemIDplus] synonym: "Liquamycin" RELATED [ChemIDplus] synonym: "Tetracyclin" RELATED [ChEBI] synonym: "TETRACYCLINE" EXACT [PDBeChem] synonym: "Tetracycline" EXACT [KEGG_COMPOUND] synonym: "tetracycline" EXACT [ChEBI] synonym: "tetracycline" RELATED INN [ChemIDplus] synonym: "tetracyclinum" RELATED INN [ChemIDplus] synonym: "Tetrazyklin" RELATED [ChEBI] synonym: "Tsiklomitsin" RELATED [ChemIDplus] xref: Beilstein:2230417 {source="Beilstein"} xref: CAS:60-54-8 {source="ChemIDplus"} xref: CAS:60-54-8 {source="KEGG COMPOUND"} xref: Drug_Central:2611 {source="DrugCentral"} xref: DrugBank:DB00759 xref: Gmelin:1103368 {source="Gmelin"} xref: KEGG:C06570 xref: KEGG:D00201 xref: MetaCyc:CPD0-1414 xref: Patent:US2699054 xref: Patent:US2712517 xref: Patent:US2886595 xref: Patent:US3005023 xref: Patent:US3019173 xref: Patent:US3301899 xref: PDBeChem:TAC xref: PMID:11061623 {source="Europe PMC"} xref: PMID:11550419 {source="Europe PMC"} xref: PMID:11744940 {source="Europe PMC"} xref: PMID:12934399 {source="Europe PMC"} xref: PMID:14585720 {source="Europe PMC"} xref: PMID:15825421 {source="Europe PMC"} xref: PMID:15913752 {source="Europe PMC"} xref: PMID:16443056 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:16749547 {source="Europe PMC"} xref: PMID:17251127 {source="Europe PMC"} xref: PMID:17260506 {source="Europe PMC"} xref: PMID:18326855 {source="Europe PMC"} xref: PMID:18406588 {source="Europe PMC"} xref: PMID:19032078 {source="Europe PMC"} xref: PMID:19112759 {source="Europe PMC"} xref: PMID:19136803 {source="Europe PMC"} xref: PMID:25286144 {source="Europe PMC"} xref: PMID:26876942 {source="Europe PMC"} xref: Reaxys:2230417 {source="Reaxys"} xref: VSDB:1739 xref: Wikipedia:Tetracycline is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:26895 ! tetracyclines relationship: is_conjugate_acid_of CHEBI:71392 ! tetracycline(1-) relationship: is_conjugate_acid_of CHEBI:77932 ! tetracycline zwitterion relationship: RO:0000087 CHEBI:35820 ! has role antiprotozoal drug relationship: RO:0000087 CHEBI:36047 ! has role antibacterial drug relationship: RO:0000087 CHEBI:48001 ! has role protein synthesis inhibitor relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H24N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFVLGDICTFRJMM-WESIUVDSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "444.43460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "444.15327" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C" xsd:string [Term] id: CHEBI:27933 name: beta-lactam antibiotic namespace: chebi_ontology alt_id: CHEBI:10427 alt_id: CHEBI:22844 def: "An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring." [] subset: 3_STAR synonym: "beta-Lactam antibiotics" RELATED [KEGG_COMPOUND] synonym: "beta-lactam antibiotics" RELATED [ChEBI] xref: KEGG:C03438 xref: PMID:19254642 {source="Europe PMC"} xref: PMID:22594007 {source="Europe PMC"} xref: Wikipedia:Beta-lactam_antibiotic is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic is_a: CHEBI:35627 ! beta-lactam [Term] id: CHEBI:28044 name: phenylalanine namespace: chebi_ontology alt_id: CHEBI:25984 alt_id: CHEBI:8089 def: "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." [] subset: 3_STAR synonym: "2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "DL-Phenylalanine" RELATED [KEGG_COMPOUND] synonym: "F" RELATED [ChEBI] synonym: "fenilalanina" RELATED [ChEBI] synonym: "PHE" RELATED [ChEBI] synonym: "Phenylalanin" RELATED [ChEBI] synonym: "Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "phenylalanine" EXACT [ChEBI] synonym: "phenylalanine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1910407 {source="Beilstein"} xref: CAS:150-30-1 {source="ChemIDplus"} xref: CAS:150-30-1 {source="NIST Chemistry WebBook"} xref: Gmelin:50836 {source="Gmelin"} xref: KEGG:C02057 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1910407 {source="Reaxys"} xref: Wikipedia:Phenylalanine is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_part CHEBI:22744 ! benzyl group relationship: is_conjugate_acid_of CHEBI:32504 ! phenylalaninate relationship: is_conjugate_base_of CHEBI:32505 ! phenylalaninium relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:28115 name: methylcobalamin namespace: chebi_ontology alt_id: CHEBI:25291 alt_id: CHEBI:48831 alt_id: CHEBI:6869 subset: 3_STAR synonym: "CO-METHYLCOBALAMIN" RELATED [PDBeChem] synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-methylcobamide" EXACT IUPAC_NAME [IUPAC] synonym: "MeCbl" RELATED [CBN] synonym: "mecobalamin" RELATED [ChEBI] synonym: "methylcob(III)alamin" RELATED [UniProt] synonym: "Methylcobalamin" EXACT [KEGG_COMPOUND] synonym: "methylcobalamin" EXACT [CBN] xref: CAS:13422-55-4 {source="ChemIDplus"} xref: CAS:13422-55-4 {source="KEGG COMPOUND"} xref: COMe:MOL000085 xref: DrugBank:DB03614 xref: Gmelin:124528 {source="Gmelin"} xref: KEGG:C06453 xref: KEGG:D03246 xref: PDBeChem:COB is_a: CHEBI:140785 ! R-cob(III)alamin relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C63H91CoN13O14P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JEWJRMKHSMTXPP-WZHZPDAFSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1344.38230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1343.58780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O" xsd:string [Term] id: CHEBI:28260 name: galactose namespace: chebi_ontology alt_id: CHEBI:24162 alt_id: CHEBI:33933 alt_id: CHEBI:5256 def: "An aldohexose that is the C-4 epimer of glucose." [] subset: 3_STAR synonym: "Gal" RELATED [JCBN] synonym: "galacto-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Galactose" EXACT [KEGG_COMPOUND] synonym: "galactose" EXACT IUPAC_NAME [IUPAC] synonym: "Galaktose" RELATED [ChEBI] xref: CAS:26566-61-0 {source="NIST Chemistry WebBook"} xref: CAS:26566-61-0 {source="ChemIDplus"} xref: KEGG:C01582 xref: Wikipedia:Galactose is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33917 ! aldohexose relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:28383 name: alpha,omega-dicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:10197 alt_id: CHEBI:13780 alt_id: CHEBI:22361 subset: 3_STAR synonym: "alpha(omega)-Dicarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "alpha,omega-Dicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "alpha,omega-dicarboxylic acids" RELATED [ChEBI] xref: KEGG:C04025 is_a: CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:28384 name: vitamin K namespace: chebi_ontology alt_id: CHEBI:10009 alt_id: CHEBI:27301 alt_id: CHEBI:27307 def: "Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors." [] subset: 3_STAR synonym: "Vitamin K" EXACT [KEGG_COMPOUND] synonym: "vitamin K vitamer" RELATED [ChEBI] synonym: "vitamin K vitamers" RELATED [ChEBI] synonym: "vitamine K" RELATED [ChEBI] synonym: "vitamins K" RELATED [ChEBI] xref: CAS:12001-79-5 {source="ChemIDplus"} xref: CAS:12001-79-5 {source="KEGG COMPOUND"} xref: KEGG:C01628 xref: MetaCyc:CPD-11501 xref: PMID:26413183 {source="Europe PMC"} xref: PMID:33255760 {source="Europe PMC"} xref: PMID:34109217 {source="Europe PMC"} xref: Wikipedia:Vitamin_K is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132142 ! 1,4-naphthoquinones relationship: RO:0000087 CHEBI:24020 ! has role fat-soluble vitamin (role) relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite [Term] id: CHEBI:28425 name: alpha-carotene namespace: chebi_ontology alt_id: CHEBI:10215 alt_id: CHEBI:22447 def: "A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively." [] subset: 3_STAR synonym: "all-trans-alpha-carotene" RELATED [ChemIDplus] synonym: "alpha-Carotene" EXACT [KEGG_COMPOUND] synonym: "alpha-carotene" EXACT [UniProt] synonym: "beta,epsilon-carotene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2067408 {source="Beilstein"} xref: Beilstein:3227599 {source="Beilstein"} xref: CAS:432-70-2 {source="ChemIDplus"} xref: HMDB:HMDB0003993 xref: KEGG:C05433 xref: KNApSAcK:C00003765 xref: LIPID_MAPS_instance:LMPR01070258 {source="LIPID MAPS"} xref: PMID:23620017 {source="Europe PMC"} xref: PMID:24169341 {source="Europe PMC"} xref: PMID:9408998 {source="Europe PMC"} xref: Reaxys:2682045 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:139120 ! carotenoid beta-end derivative is_a: CHEBI:35163 ! cyclic carotene relationship: RO:0000087 CHEBI:67200 ! has role provitamin A relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ANVAOWXLWRTKGA-JLTXGRSLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "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" xsd:string [Term] id: CHEBI:28616 name: carbamic acid namespace: chebi_ontology alt_id: CHEBI:22504 alt_id: CHEBI:23002 alt_id: CHEBI:3386 alt_id: CHEBI:44573 def: "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." [] subset: 3_STAR synonym: "Aminoameisensaeure" RELATED [ChEBI] synonym: "Aminoformic acid" RELATED [KEGG_COMPOUND] synonym: "Carbamate" RELATED [KEGG_COMPOUND] synonym: "CARBAMIC ACID" EXACT [PDBeChem] synonym: "Carbamic acid" EXACT [KEGG_COMPOUND] synonym: "carbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Carbamidsaeure" RELATED [ChEBI] xref: Beilstein:1734754 {source="Beilstein"} xref: CAS:463-77-4 {source="KEGG COMPOUND"} xref: CAS:463-77-4 {source="ChemIDplus"} xref: DrugBank:DB04261 xref: Gmelin:130345 {source="Gmelin"} xref: KEGG:C01563 xref: PDBeChem:OUT xref: Wikipedia:Carbamic_acid is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:13941 ! carbamate relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDHJXZQYSOELW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.04006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(O)=O" xsd:string [Term] id: CHEBI:28659 name: phosphorus atom namespace: chebi_ontology alt_id: CHEBI:26080 alt_id: CHEBI:8168 subset: 3_STAR synonym: "15P" RELATED [IUPAC] synonym: "fosforo" RELATED [ChEBI] synonym: "P" RELATED [IUPAC] synonym: "P" RELATED [KEGG_COMPOUND] synonym: "Phosphor" RELATED [ChEBI] synonym: "phosphore" RELATED [ChEBI] synonym: "Phosphorus" RELATED [KEGG_COMPOUND] synonym: "phosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus" RELATED [ChEBI] xref: CAS:7723-14-0 {source="ChemIDplus"} xref: CAS:7723-14-0 {source="KEGG COMPOUND"} xref: Gmelin:16235 {source="Gmelin"} xref: KEGG:C06262 xref: WebElements:P is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAICVXFJPJFONN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.97376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.97376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[P]" xsd:string [Term] id: CHEBI:28757 name: fructose namespace: chebi_ontology alt_id: CHEBI:24104 alt_id: CHEBI:24110 alt_id: CHEBI:5172 def: "A ketohexose that is an isomer of glucose." [] subset: 3_STAR synonym: "arabino-hex-2-ulose" EXACT IUPAC_NAME [IUPAC] synonym: "arabino-Hexulose" RELATED [KEGG_COMPOUND] synonym: "Fru" RELATED [JCBN] synonym: "Fruchtzucker" RELATED [ChEBI] synonym: "Fructose" EXACT [KEGG_COMPOUND] synonym: "fructose" EXACT IUPAC_NAME [IUPAC] synonym: "Fruktose" RELATED [ChEBI] xref: CAS:30237-26-4 {source="ChemIDplus"} xref: DrugBank:DB04173 xref: KEGG:C01496 xref: Wikipedia:Fructose is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24973 ! ketohexose relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite [Term] id: CHEBI:28838 name: lutein namespace: chebi_ontology alt_id: CHEBI:27324 alt_id: CHEBI:43817 alt_id: CHEBI:6576 subset: 3_STAR synonym: "(3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol" EXACT IUPAC_NAME [IUPAC] synonym: "(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL" RELATED [PDBeChem] synonym: "Bo-Xan" RELATED [ChemIDplus] synonym: "E 161b" RELATED [ChEBI] synonym: "Lutein" EXACT [KEGG_COMPOUND] synonym: "lutein" EXACT [UniProt] synonym: "Xanthophyll" RELATED [KEGG_COMPOUND] xref: Beilstein:2068550 {source="Beilstein"} xref: CAS:127-40-2 {source="ChemIDplus"} xref: CAS:127-40-2 {source="KEGG COMPOUND"} xref: Drug_Central:4145 {source="DrugCentral"} xref: DrugBank:DB00137 xref: HMDB:HMDB0003233 xref: KEGG:C08601 xref: KNApSAcK:C00003776 xref: LIPID_MAPS_instance:LMPR01070274 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-119 xref: PDBeChem:LUT xref: PMID:10714278 {source="Europe PMC"} xref: PMID:14670087 {source="Europe PMC"} xref: PMID:23543147 {source="Europe PMC"} xref: PMID:24451312 {source="Europe PMC"} xref: Reaxys:2068550 {source="Reaxys"} xref: Wikipedia:Lutein is_a: BFO:0000004 ! independent continuant is_a: CHEBI:23045 ! carotenol relationship: has_parent_hydride CHEBI:35147 ! (6'R)-beta,epsilon-carotene relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77182 ! has role food colouring property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KBPHJBAIARWVSC-RGZFRNHPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "568.87144" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "568.42803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "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" xsd:string [Term] id: CHEBI:28868 name: fatty acid anion namespace: chebi_ontology alt_id: CHEBI:13634 alt_id: CHEBI:24022 alt_id: CHEBI:4985 def: "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid." [] subset: 3_STAR synonym: "a fatty acid" RELATED [UniProt] synonym: "acido graso anionico" RELATED [ChEBI] synonym: "acidos grasos anionicos" RELATED [ChEBI] synonym: "Alkanate" RELATED [KEGG_COMPOUND] synonym: "anion de l'acide gras" RELATED [ChEBI] synonym: "Fatty acid anion" EXACT [KEGG_COMPOUND] synonym: "fatty acid anions" RELATED [ChEBI] synonym: "Fettsaeureanion" RELATED [ChEBI] synonym: "Fettsaeureanionen" RELATED [ChEBI] xref: KEGG:C02403 xref: PMID:18628202 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35366 ! fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:28938 name: ammonium namespace: chebi_ontology alt_id: CHEBI:22534 alt_id: CHEBI:49783 alt_id: CHEBI:7435 def: "An onium cation obtained by protonation of ammonia." [] subset: 3_STAR synonym: "[NH4](+)" RELATED [MolBase] synonym: "ammonium" EXACT IUPAC_NAME [IUPAC] synonym: "ammonium" EXACT [ChEBI] synonym: "ammonium cation" RELATED [ChemIDplus] synonym: "ammonium ion" RELATED [PDBeChem] synonym: "Ammonium(1+)" RELATED [ChemIDplus] synonym: "azanium" EXACT IUPAC_NAME [IUPAC] synonym: "NH4(+)" RELATED [UniProt] synonym: "NH4(+)" RELATED [IUPAC] synonym: "NH4+" RELATED [KEGG_COMPOUND] xref: CAS:14798-03-9 {source="NIST Chemistry WebBook"} xref: CAS:14798-03-9 {source="ChemIDplus"} xref: Gmelin:84 {source="Gmelin"} xref: KEGG:C01342 xref: MetaCyc:AMMONIUM xref: MolBase:929 xref: PDBeChem:NH4 xref: PMID:11319011 {source="Europe PMC"} xref: PMID:11341317 {source="Europe PMC"} xref: PMID:12096804 {source="Europe PMC"} xref: PMID:14512268 {source="Europe PMC"} xref: PMID:14879753 {source="Europe PMC"} xref: PMID:16345391 {source="Europe PMC"} xref: PMID:16903292 {source="Europe PMC"} xref: PMID:17392693 {source="Europe PMC"} xref: PMID:18515490 {source="Europe PMC"} xref: PMID:19199063 {source="Europe PMC"} xref: PMID:19596600 {source="Europe PMC"} xref: PMID:19682559 {source="Europe PMC"} xref: PMID:19716251 {source="Europe PMC"} xref: PMID:21993530 {source="Europe PMC"} xref: PMID:22265469 {source="Europe PMC"} xref: PMID:22524020 {source="Europe PMC"} xref: PMID:22562341 {source="Europe PMC"} xref: PMID:22631217 {source="Europe PMC"} xref: Reaxys:16093784 {source="Reaxys"} xref: Wikipedia:Ammonium is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:50313 ! onium cation is_a: CHEBI:60242 ! monovalent inorganic cation relationship: is_conjugate_acid_of CHEBI:16134 ! ammonia relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.03850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.03383" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N+]([H])([H])[H]" xsd:string [Term] id: CHEBI:28939 name: N-acetyl-L-cysteine namespace: chebi_ontology alt_id: CHEBI:21548 alt_id: CHEBI:2418 alt_id: CHEBI:45481 def: "An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine." [] subset: 3_STAR synonym: "(2R)-2-acetylamino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(R)-2-acetylamino-3-mercaptopropanoic acid" RELATED [ChEBI] synonym: "(R)-mercapturic acid" RELATED [ChemIDplus] synonym: "acetilcisteina" RELATED INN [ChemIDplus] synonym: "Acetylcysteine" RELATED [KEGG_COMPOUND] synonym: "acetylcysteinum" RELATED INN [ChemIDplus] synonym: "L-acetylcysteine" RELATED [ChemIDplus] synonym: "L-alpha-acetamido-beta-mercaptopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "mercapturic acid" RELATED [ChemIDplus] synonym: "N-acetyl-L-(+)-cysteine" RELATED [NIST_Chemistry_WebBook] synonym: "N-ACETYL-L-CYSTEINE" EXACT [PDBeChem] synonym: "N-acetyl-L-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "N-acetylcysteine" RELATED [ChemIDplus] synonym: "NAC" RELATED [ChEBI] xref: Beilstein:1724426 {source="Beilstein"} xref: CAS:616-91-1 {source="ChemIDplus"} xref: CAS:616-91-1 {source="KEGG COMPOUND"} xref: CAS:616-91-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:66 {source="DrugCentral"} xref: DrugBank:DB06151 xref: Gmelin:142554 {source="Gmelin"} xref: HMDB:HMDB0001890 xref: KEGG:C06809 xref: KEGG:D00221 xref: LINCS:LSM-4672 xref: MetaCyc:CPD-9175 xref: PDBeChem:SC2 xref: PMID:10651166 {source="Europe PMC"} xref: PMID:11544433 {source="Europe PMC"} xref: PMID:12057717 {source="Europe PMC"} xref: PMID:15025780 {source="Europe PMC"} xref: PMID:15647642 {source="Europe PMC"} xref: PMID:17174578 {source="Europe PMC"} xref: PMID:19580823 {source="Europe PMC"} xref: PMID:2026726 {source="Europe PMC"} xref: PMID:20819793 {source="Europe PMC"} xref: PMID:24119926 {source="Europe PMC"} xref: PMID:25553484 {source="Europe PMC"} xref: PMID:9624310 {source="Europe PMC"} xref: PMID:9711192 {source="Europe PMC"} xref: Reaxys:1724426 {source="Reaxys"} xref: Wikipedia:Acetylcysteine is_a: CHEBI:21545 ! N-acetyl-L-amino acid is_a: CHEBI:22198 ! acetylcysteine is_a: CHEBI:83824 ! L-cysteine derivative relationship: is_conjugate_acid_of CHEBI:78236 ! N-acetyl-L-cysteinate relationship: RO:0000087 CHEBI:173084 ! has role ferroptosis inhibitor relationship: RO:0000087 CHEBI:176497 ! has role geroprotector relationship: RO:0000087 CHEBI:36044 ! has role antiviral drug relationship: RO:0000087 CHEBI:48578 ! has role radical scavenger relationship: RO:0000087 CHEBI:73336 ! has role vulnerary relationship: RO:0000087 CHEBI:74529 ! has role antidote to paracetamol poisoning relationship: RO:0000087 CHEBI:77034 ! has role mucolytic relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWKSKIMOESPYIA-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "163.19590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.03031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N[C@@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:28965 name: dicarboxylic acid dianion namespace: chebi_ontology alt_id: CHEBI:13632 alt_id: CHEBI:23688 alt_id: CHEBI:23689 alt_id: CHEBI:38711 def: "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid." [] subset: 3_STAR synonym: "a dicarboxylate" RELATED [UniProt] synonym: "dicarboxylate" RELATED [ChEBI] synonym: "dicarboxylates" RELATED [ChEBI] synonym: "dicarboxylic acid dianion" EXACT [ChEBI] synonym: "dicarboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion is_a: CHEBI:38716 ! carboxylic acid dianion property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.019" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.97966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[*]C([O-])=O" xsd:string [Term] id: CHEBI:28976 name: carbonic acid namespace: chebi_ontology alt_id: CHEBI:13351 alt_id: CHEBI:23017 alt_id: CHEBI:23744 alt_id: CHEBI:3401 subset: 3_STAR synonym: "[CO(OH)2]" RELATED [IUPAC] synonym: "Carbonic acid" EXACT [KEGG_COMPOUND] synonym: "carbonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Dihydrogen carbonate" RELATED [KEGG_COMPOUND] synonym: "dihydroxidooxidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "H2CO3" RELATED [KEGG_COMPOUND] synonym: "H2CO3" RELATED [IUPAC] synonym: "Koehlensaeure" RELATED [ChEBI] xref: CAS:463-79-6 {source="ChemIDplus"} xref: CAS:463-79-6 {source="KEGG COMPOUND"} xref: Gmelin:25554 {source="Gmelin"} xref: KEGG:C01353 xref: PDBeChem:CO3 is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36961 ! chalcocarbonic acid relationship: is_conjugate_acid_of CHEBI:17544 ! hydrogencarbonate relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.02478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.00039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(O)=O" xsd:string [Term] id: CHEBI:29016 name: arginine namespace: chebi_ontology alt_id: CHEBI:22616 alt_id: CHEBI:2643 def: "An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group." [] subset: 3_STAR synonym: "2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Arginin" RELATED [ChEBI] synonym: "Arginine" EXACT [KEGG_COMPOUND] synonym: "arginine" EXACT IUPAC_NAME [IUPAC] synonym: "Harg" RELATED [IUPAC] xref: Beilstein:1725411 {source="Beilstein"} xref: CAS:7200-25-1 {source="ChemIDplus"} xref: KEGG:C02385 xref: PMID:10848923 {source="Europe PMC"} xref: Reaxys:1725411 {source="Reaxys"} xref: Wikipedia:L-Arginine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50340 ! 3-carbamimidamidopropyl group relationship: is_conjugate_acid_of CHEBI:32695 ! argininate relationship: is_conjugate_base_of CHEBI:32696 ! argininium(1+) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.20112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.11168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=N)C(O)=O" xsd:string [Term] id: CHEBI:29032 name: (R)-pantothenate namespace: chebi_ontology alt_id: CHEBI:11008 alt_id: CHEBI:18700 def: "A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-)" RELATED [ChemIDplus] synonym: "(R)-Pantothenate" EXACT [KEGG_COMPOUND] synonym: "(R)-pantothenate" EXACT [UniProt] synonym: "3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pantothenate" RELATED [ChemIDplus] xref: CAS:20938-62-9 {source="ChemIDplus"} xref: Gmelin:775395 {source="Gmelin"} xref: MetaCyc:PANTOTHENATE xref: PMID:15565250 {source="Europe PMC"} xref: PMID:16042590 {source="Europe PMC"} xref: Reaxys:3907450 {source="Reaxys"} is_a: CHEBI:16454 ! pantothenate is_a: CHEBI:176840 ! vitamin B5 relationship: is_conjugate_base_of CHEBI:46905 ! (R)-pantothenic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-ZETCQYMHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "218.22708" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.10340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O" xsd:string [Term] id: CHEBI:29057 name: keratan namespace: chebi_ontology alt_id: CHEBI:14490 alt_id: CHEBI:24954 subset: 1_STAR is_a: CHEBI:18085 ! glycosaminoglycan [Term] id: CHEBI:29067 name: carboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:13626 alt_id: CHEBI:13945 alt_id: CHEBI:23026 alt_id: CHEBI:58657 def: "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated." [] subset: 3_STAR synonym: "a carboxylate" RELATED [UniProt] synonym: "carboxylic acid anions" RELATED [ChEBI] synonym: "carboxylic anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion relationship: is_conjugate_base_of CHEBI:33575 ! carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:29101 name: sodium(1+) namespace: chebi_ontology alt_id: CHEBI:26717 alt_id: CHEBI:49766 alt_id: CHEBI:9175 def: "A monoatomic monocation obtained from sodium." [] subset: 3_STAR synonym: "Na(+)" RELATED [UniProt] synonym: "Na(+)" RELATED [IUPAC] synonym: "Na+" RELATED [KEGG_COMPOUND] synonym: "sodium cation" EXACT IUPAC_NAME [IUPAC] synonym: "SODIUM ION" RELATED [PDBeChem] synonym: "sodium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:17341-25-2 {source="ChemIDplus"} xref: CAS:17341-25-2 {source="NIST Chemistry WebBook"} xref: Gmelin:15196 {source="Gmelin"} xref: KEGG:C01330 xref: PDBeChem:NA is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:37246 ! elemental sodium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FKNQFGJONOIPTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+]" xsd:string [Term] id: CHEBI:29103 name: potassium(1+) namespace: chebi_ontology alt_id: CHEBI:26219 alt_id: CHEBI:49685 alt_id: CHEBI:8345 def: "A monoatomic monocation obtained from potassium." [] subset: 3_STAR synonym: "K(+)" RELATED [UniProt] synonym: "K(+)" RELATED [IUPAC] synonym: "K+" RELATED [KEGG_COMPOUND] synonym: "potassium cation" EXACT IUPAC_NAME [IUPAC] synonym: "POTASSIUM ION" RELATED [PDBeChem] synonym: "potassium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:24203-36-9 {source="NIST Chemistry WebBook"} xref: Gmelin:15203 {source="Gmelin"} xref: KEGG:C00238 xref: KEGG:D08403 xref: PDBeChem:K is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:37247 ! elemental potassium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NPYPAHLBTDXSSS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+]" xsd:string [Term] id: CHEBI:29108 name: calcium(2+) namespace: chebi_ontology alt_id: CHEBI:22988 alt_id: CHEBI:3308 alt_id: CHEBI:48760 subset: 3_STAR synonym: "Ca(2+)" RELATED [IUPAC] synonym: "Ca(2+)" RELATED [UniProt] synonym: "Ca2+" RELATED [KEGG_COMPOUND] synonym: "CALCIUM ION" RELATED [PDBeChem] synonym: "calcium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "calcium, doubly charged positive ion" RELATED [NIST_Chemistry_WebBook] xref: CAS:14127-61-8 {source="ChemIDplus"} xref: CAS:14127-61-8 {source="NIST Chemistry WebBook"} xref: Gmelin:6850 {source="Gmelin"} xref: KEGG:C00076 xref: PDBeChem:CA is_a: BFO:0000004 ! independent continuant is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:39123 ! calcium cation is_a: CHEBI:60240 ! divalent metal cation relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BHPQYMZQTOCNFJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.07800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96149" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++]" xsd:string [Term] id: CHEBI:29214 name: sulfonic acid namespace: chebi_ontology subset: 3_STAR synonym: "[SHO2(OH)]" RELATED [IUPAC] synonym: "acide sulfonique" RELATED [ChEBI] synonym: "HSHO3" RELATED [IUPAC] synonym: "hydridohydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfonsaeure" RELATED [ChEBI] synonym: "sulphonic acid" RELATED [ChEBI] xref: Gmelin:1404640 {source="Gmelin"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:33543 ! sulfonate relationship: is_tautomer_of CHEBI:48854 ! sulfurous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDHFUVZGWQCTTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "82.08008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.97247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S(O)(=O)=O" xsd:string [Term] id: CHEBI:29228 name: hydrogen fluoride namespace: chebi_ontology def: "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." [] subset: 3_STAR synonym: "[HF]" RELATED [IUPAC] synonym: "fluorane" EXACT IUPAC_NAME [IUPAC] synonym: "Fluoride" RELATED [KEGG_COMPOUND] synonym: "fluoridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "fluorure d'hydrogene" RELATED [ChEBI] synonym: "Fluorwasserstoff" RELATED [ChEBI] synonym: "HF" RELATED [IUPAC] synonym: "hydrofluoric acid" RELATED [ChemIDplus] synonym: "Hydrogen fluoride" EXACT [KEGG_COMPOUND] synonym: "hydrogen fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenfluorid" RELATED [ChEBI] xref: CAS:7664-39-3 {source="NIST Chemistry WebBook"} xref: CAS:7664-39-3 {source="ChemIDplus"} xref: CAS:7664-39-3 {source="KEGG COMPOUND"} xref: Drug_Central:4499 {source="DrugCentral"} xref: Gmelin:166 {source="Gmelin"} xref: KEGG:C16487 is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:17051 ! fluoride relationship: is_conjugate_base_of CHEBI:50314 ! fluoronium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FH" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "20.00634" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.00623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[H]" xsd:string [Term] id: CHEBI:29337 name: azanide namespace: chebi_ontology subset: 3_STAR synonym: "amide" EXACT IUPAC_NAME [IUPAC] synonym: "azanide" EXACT IUPAC_NAME [IUPAC] synonym: "dihydridonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "NH2(-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29340 ! hydridonitrate(2-) relationship: is_conjugate_base_of CHEBI:16134 ! ammonia property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N/h1H2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYGWNUKOUCZBND-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.02262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01927" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N-][H]" xsd:string [Term] id: CHEBI:29340 name: hydridonitrate(2-) namespace: chebi_ontology def: "A divalent inorganic anion resulting from the removal of two protons from ammonia." [] subset: 3_STAR synonym: "azanediide" EXACT IUPAC_NAME [IUPAC] synonym: "hydridonitrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "imide" RELATED [IUPAC] synonym: "NH(2-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:29337 ! azanide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HN/h1H/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DZQYTNGKSBCIOE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.01468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N--][H]" xsd:string [Term] id: CHEBI:29347 name: monocarboxylic acid amide namespace: chebi_ontology alt_id: CHEBI:13211 alt_id: CHEBI:22207 alt_id: CHEBI:25383 alt_id: CHEBI:6977 def: "A carboxamide derived from a monocarboxylic acid." [] subset: 3_STAR synonym: "monocarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])C([*])=O" xsd:string [Term] id: CHEBI:29747 name: cholate namespace: chebi_ontology alt_id: CHEBI:11895 alt_id: CHEBI:13978 alt_id: CHEBI:20216 alt_id: CHEBI:23168 alt_id: CHEBI:57748 def: "A bile acid anion that is the conjugate base of cholic acid." [] subset: 3_STAR synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate" RELATED [ChEBI] synonym: "cholate" EXACT [UniProt] xref: Beilstein:3915750 {source="Beilstein"} xref: Reaxys:3915750 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:131878 ! cholanic acid anion relationship: is_conjugate_base_of CHEBI:16359 ! cholic acid relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H39O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BHQCQFFYRZLCQQ-OELDTZBJSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "407.56346" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "407.28030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O" xsd:string [Term] id: CHEBI:29985 name: L-glutamate(1-) namespace: chebi_ontology alt_id: CHEBI:13107 alt_id: CHEBI:21301 def: "An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "(2S)-2-ammoniopentanedioate" RELATED [IUPAC] synonym: "hydrogen L-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate" RELATED [ChEBI] synonym: "L-glutamate" RELATED [UniProt] synonym: "L-glutamate(1-)" EXACT [JCBN] synonym: "L-glutamic acid monoanion" RELATED [JCBN] synonym: "L-glutamic acid, ion(1-)" RELATED [ChemIDplus] xref: CAS:11070-68-1 {source="ChemIDplus"} xref: Gmelin:936654 {source="Gmelin"} xref: MetaCyc:GLT is_a: CHEBI:14321 ! glutamate(1-) is_a: CHEBI:62031 ! polar amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:29988 ! L-glutamate(2-) relationship: is_conjugate_base_of CHEBI:16015 ! L-glutamic acid relationship: is_enantiomer_of CHEBI:29986 ! D-glutamate(1-) relationship: RO:0000087 CHEBI:24319 ! has role EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29986 name: D-glutamate(1-) namespace: chebi_ontology alt_id: CHEBI:12979 alt_id: CHEBI:21022 def: "An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "(2R)-2-ammoniopentanedioate" RELATED [IUPAC] synonym: "D-glutamate" RELATED [UniProt] synonym: "D-glutamate(1-)" EXACT [JCBN] synonym: "D-glutamic acid monoanion" RELATED [JCBN] synonym: "hydrogen D-glutamate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8319427 {source="Beilstein"} xref: MetaCyc:D-GLT is_a: CHEBI:14321 ! glutamate(1-) relationship: is_conjugate_acid_of CHEBI:29989 ! D-glutamate(2-) relationship: is_conjugate_base_of CHEBI:15966 ! D-glutamic acid relationship: is_enantiomer_of CHEBI:29985 ! L-glutamate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29987 name: glutamate(2-) namespace: chebi_ontology def: "A dicarboxylic acid dianion that is the conjugate base of glutamate(1-)." [] subset: 3_STAR synonym: "2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamate(2-)" EXACT [JCBN] synonym: "glutamic acid dianion" RELATED [JCBN] xref: Beilstein:4134100 {source="Beilstein"} xref: Gmelin:327903 {source="Gmelin"} xref: Reaxys:4134100 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:14321 ! glutamate(1-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29988 name: L-glutamate(2-) namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid." [] subset: 3_STAR synonym: "(2S)-2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate(2-)" EXACT [JCBN] synonym: "L-glutamic acid dianion" RELATED [JCBN] xref: Gmelin:327905 {source="Gmelin"} is_a: CHEBI:29987 ! glutamate(2-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:29985 ! L-glutamate(1-) relationship: is_enantiomer_of CHEBI:29989 ! D-glutamate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29989 name: D-glutamate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamate(2-)" EXACT [JCBN] synonym: "D-glutamic acid dianion" RELATED [JCBN] xref: Beilstein:8143000 {source="Beilstein"} xref: Gmelin:327904 {source="Gmelin"} is_a: CHEBI:29987 ! glutamate(2-) relationship: is_conjugate_base_of CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:29988 ! L-glutamate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:30089 name: acetate namespace: chebi_ontology alt_id: CHEBI:13704 alt_id: CHEBI:22165 alt_id: CHEBI:40480 def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid." [] subset: 3_STAR synonym: "acetate" EXACT [UniProt] synonym: "acetate" EXACT IUPAC_NAME [IUPAC] synonym: "ACETATE ION" RELATED [PDBeChem] synonym: "acetic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Azetat" RELATED [ChEBI] synonym: "CH3-COO(-)" RELATED [IUPAC] synonym: "Ethanoat" RELATED [ChEBI] synonym: "ethanoate" RELATED [ChEBI] synonym: "MeCO2 anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1901470 {source="Beilstein"} xref: CAS:71-50-1 {source="ChemIDplus"} xref: CAS:71-50-1 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03166 xref: Gmelin:1379 {source="Gmelin"} xref: KEGG:C00033 xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22211106 {source="Europe PMC"} xref: PMID:22371380 {source="Europe PMC"} xref: Reaxys:1901470 {source="Reaxys"} xref: UM-BBD_compID:c0050 {source="UM-BBD"} xref: Wikipedia:Acetate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:15366 ! acetic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.04402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01385" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([O-])=O" xsd:string [Term] id: CHEBI:30353 name: isopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)2CH-" RELATED [IUPAC] synonym: "-CH(CH3)2" RELATED [ChEBI] synonym: "1-methylethyl" RELATED [IUPAC] synonym: "iPr" RELATED [CBN] synonym: "isopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "propan-2-yl" EXACT IUPAC_NAME [IUPAC] synonym: "valine side-chain" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:32879 ! propane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.08768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.05478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(*)C" xsd:string [Term] id: CHEBI:30356 name: isobutyl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)2CH-CH2-" RELATED [IUPAC] synonym: "-CH2-CH(CH3)2" RELATED [ChEBI] synonym: "2-methylpropan-1-ido" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropyl" EXACT IUPAC_NAME [IUPAC] synonym: "iBu" RELATED [CBN] synonym: "isobutyl" EXACT IUPAC_NAME [IUPAC] synonym: "leucine side-chain" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:30363 ! isobutane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.11426" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.07043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C*" xsd:string [Term] id: CHEBI:30363 name: isobutane namespace: chebi_ontology def: "An alkane that is propane substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "(CH3)2CH-CH3" RELATED [IUPAC] synonym: "2-methylpropane" EXACT IUPAC_NAME [IUPAC] synonym: "E943b" RELATED [ChEBI] synonym: "isobutane" EXACT IUPAC_NAME [IUPAC] synonym: "R-600a" RELATED [ChEBI] xref: Beilstein:1730720 {source="Beilstein"} xref: CAS:75-28-5 {source="NIST Chemistry WebBook"} xref: CAS:75-28-5 {source="ChemIDplus"} xref: Gmelin:1301 {source="Gmelin"} xref: KEGG:D04623 xref: PMID:24179026 {source="Europe PMC"} xref: PMID:24464945 {source="Europe PMC"} xref: Reaxys:1730720 {source="Reaxys"} xref: Wikipedia:Isobutane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane relationship: RO:0000087 CHEBI:78017 ! has role food propellant relationship: RO:0000087 CHEBI:78433 ! has role refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNPPMTNAJDCUHE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.12220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C" xsd:string [Term] id: CHEBI:30411 name: cobalamin namespace: chebi_ontology def: "A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified." [] subset: 3_STAR synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide" EXACT IUPAC_NAME [IUPAC] synonym: "COBALAMIN" EXACT [PDBeChem] synonym: "cobalamin" EXACT IUPAC_NAME [IUPAC] xref: COMe:MOL000036 xref: PDBeChem:B12 xref: PMID:11371572 {source="Europe PMC"} xref: PMID:15181872 {source="Europe PMC"} is_a: CHEBI:23334 ! cobalamins relationship: RO:0000087 CHEBI:26348 ! has role prosthetic group [Term] id: CHEBI:30412 name: monoatomic dication namespace: chebi_ontology alt_id: CHEBI:23856 alt_id: CHEBI:4665 subset: 3_STAR synonym: "Divalent cation" RELATED [KEGG_COMPOUND] synonym: "divalent inorganic cations" RELATED [ChEBI] synonym: "monoatomic dications" RELATED [ChEBI] xref: KEGG:C00572 is_a: CHEBI:23906 ! monoatomic cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*++]" xsd:string [Term] id: CHEBI:30413 name: heme namespace: chebi_ontology alt_id: CHEBI:14386 alt_id: CHEBI:24491 def: "A heme is any tetrapyrrolic chelate of iron." [] subset: 3_STAR synonym: "Haem" RELATED [ChEBI] synonym: "haem" RELATED [ChEBI] synonym: "haem" RELATED [IUPAC] synonym: "haeme" RELATED [IUPAC] synonym: "hem" RELATED [IUPAC] synonym: "heme" EXACT [IUPAC] synonym: "heme" EXACT [UniProt] synonym: "heme" EXACT IUPAC_NAME [IUPAC] synonym: "hemes" EXACT IUPAC_NAME [IUPAC] synonym: "hemos" RELATED [IUPAC] xref: COMe:MOL000025 xref: DrugBank:DB03014 xref: KEGG:C00032 is_a: CHEBI:25216 ! metalloporphyrin is_a: CHEBI:33892 ! iron coordination entity relationship: RO:0000087 CHEBI:25212 ! has role metabolite relationship: RO:0000087 CHEBI:26348 ! has role prosthetic group [Term] id: CHEBI:30527 name: flavin namespace: chebi_ontology alt_id: CHEBI:24042 alt_id: CHEBI:5073 def: "A derivative of the dimethylisoalloxazine (7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione) skeleton, with a substituent on the 10 position." [] subset: 3_STAR synonym: "Flavin" EXACT [KEGG_COMPOUND] synonym: "flavins" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00176 is_a: CHEBI:38925 ! benzopteridine relationship: has_functional_parent CHEBI:37323 ! 7,8-dimethylisoalloxazine relationship: is_conjugate_acid_of CHEBI:60531 ! flavin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9N4O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.22550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "241.07255" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[nH]c3=O)n([*])c2cc1C" xsd:string [Term] id: CHEBI:30623 name: oxalate(2-) namespace: chebi_ontology alt_id: CHEBI:14702 alt_id: CHEBI:25729 alt_id: CHEBI:44820 def: "A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid." [] subset: 3_STAR synonym: "ethanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "ethanedioic acid, ion(2-)" RELATED [ChemIDplus] synonym: "ox" RELATED [IUPAC] synonym: "oxalate" RELATED [UniProt] synonym: "OXALATE ION" RELATED [PDBeChem] xref: Beilstein:1905970 {source="Beilstein"} xref: CAS:338-70-5 {source="ChemIDplus"} xref: Gmelin:2207 {source="Gmelin"} xref: KEGG:C00209 xref: PDBeChem:OXL xref: Reaxys:1905970 {source="Reaxys"} xref: UM-BBD_compID:c0017 {source="UM-BBD"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132952 ! oxalate is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:46904 ! oxalate(1-) relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.01900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.98076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C([O-])=O" xsd:string [Term] id: CHEBI:30751 name: formic acid namespace: chebi_ontology alt_id: CHEBI:24082 alt_id: CHEBI:42460 alt_id: CHEBI:5145 def: "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." [] subset: 3_STAR synonym: "Acide formique" RELATED [ChemIDplus] synonym: "Ameisensaeure" RELATED [ChemIDplus] synonym: "aminic acid" RELATED [ChemIDplus] synonym: "bilorin" RELATED [ChemIDplus] synonym: "FORMIC ACID" EXACT [PDBeChem] synonym: "Formic acid" EXACT [KEGG_COMPOUND] synonym: "formic acid" EXACT IUPAC_NAME [IUPAC] synonym: "formylic acid" RELATED [ChemIDplus] synonym: "H-COOH" RELATED [IUPAC] synonym: "HCO2H" RELATED [ChEBI] synonym: "HCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylic acid" RELATED [ChemIDplus] synonym: "Methanoic acid" RELATED [KEGG_COMPOUND] synonym: "methoic acid" RELATED [ChEBI] xref: Beilstein:1209246 {source="Beilstein"} xref: BPDB:1749 xref: CAS:64-18-6 {source="NIST Chemistry WebBook"} xref: CAS:64-18-6 {source="ChemIDplus"} xref: CAS:64-18-6 {source="KEGG COMPOUND"} xref: DrugBank:DB01942 xref: Gmelin:1008 {source="Gmelin"} xref: HMDB:HMDB0000142 xref: KEGG:C00058 xref: KNApSAcK:C00001182 xref: LIPID_MAPS_instance:LMFA01010040 {source="LIPID MAPS"} xref: MetaCyc:FORMATE xref: Patent:CN101481304 xref: PDBeChem:FMT xref: PMID:12591956 {source="Europe PMC"} xref: PMID:14637377 {source="Europe PMC"} xref: PMID:15811469 {source="Europe PMC"} xref: PMID:16120414 {source="Europe PMC"} xref: PMID:16185830 {source="Europe PMC"} xref: PMID:16222862 {source="Europe PMC"} xref: PMID:16230297 {source="Europe PMC"} xref: PMID:16445901 {source="Europe PMC"} xref: PMID:16465784 {source="Europe PMC"} xref: PMID:18034701 {source="Europe PMC"} xref: PMID:18397576 {source="Europe PMC"} xref: PMID:22080171 {source="Europe PMC"} xref: PMID:22280475 {source="Europe PMC"} xref: PMID:22304812 {source="Europe PMC"} xref: PMID:22385261 {source="Europe PMC"} xref: PMID:22447125 {source="Europe PMC"} xref: PMID:22483350 {source="Europe PMC"} xref: PMID:22499553 {source="Europe PMC"} xref: PMID:22540994 {source="Europe PMC"} xref: PMID:22606986 {source="Europe PMC"} xref: PMID:22622393 {source="Europe PMC"} xref: PMID:3946945 {source="Europe PMC"} xref: PMID:7361809 {source="Europe PMC"} xref: Reaxys:1209246 {source="Reaxys"} xref: Wikipedia:Formic_acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:15740 ! formate relationship: RO:0000087 CHEBI:25212 ! has role metabolite relationship: RO:0000087 CHEBI:33282 ! has role antibacterial agent relationship: RO:0000087 CHEBI:48356 ! has role protic solvent relationship: RO:0000087 CHEBI:74783 ! has role astringent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.02538" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(O)=O" xsd:string [Term] id: CHEBI:30768 name: propionic acid namespace: chebi_ontology alt_id: CHEBI:26304 alt_id: CHEBI:45227 alt_id: CHEBI:8476 def: "A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group." [] subset: 3_STAR synonym: "acide propanoique" RELATED [ChEBI] synonym: "acide propionique" RELATED [NIST_Chemistry_WebBook] synonym: "carboxyethane" RELATED [ChemIDplus] synonym: "CH3-CH2-COOH" RELATED [IUPAC] synonym: "ethanecarboxylic acid" RELATED [ChemIDplus] synonym: "ethylformic acid" RELATED [ChemIDplus] synonym: "metacetonic acid" RELATED [ChemIDplus] synonym: "methylacetic acid" RELATED [ChemIDplus] synonym: "PA" RELATED [ChEBI] synonym: "PROPANOIC ACID" RELATED [PDBeChem] synonym: "Propanoic acid" RELATED [KEGG_COMPOUND] synonym: "propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "propioic acid" RELATED [LIPID_MAPS] synonym: "Propionic acid" EXACT [KEGG_COMPOUND] synonym: "propionic acid" EXACT [IUPAC] synonym: "Propionsaeure" RELATED [ChEBI] synonym: "propoic acid" RELATED [ChEBI] synonym: "pseudoacetic acid" RELATED [ChemIDplus] xref: Beilstein:506071 {source="Beilstein"} xref: CAS:79-09-4 {source="KEGG COMPOUND"} xref: CAS:79-09-4 {source="NIST Chemistry WebBook"} xref: CAS:79-09-4 {source="ChemIDplus"} xref: DrugBank:DB03766 xref: Gmelin:1821 {source="Gmelin"} xref: KEGG:C00163 xref: KEGG:D02310 xref: LIPID_MAPS_instance:LMFA01010003 {source="LIPID MAPS"} xref: PDBeChem:PPI xref: PMID:15868474 {source="Europe PMC"} xref: PMID:1628870 {source="Europe PMC"} xref: PMID:16763906 {source="Europe PMC"} xref: PPDB:1341 is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:26666 ! short-chain fatty acid relationship: is_conjugate_acid_of CHEBI:17272 ! propionate relationship: RO:0000087 CHEBI:86327 ! has role antifungal drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.07850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(O)=O" xsd:string [Term] id: CHEBI:30772 name: butyric acid namespace: chebi_ontology alt_id: CHEBI:113450 alt_id: CHEBI:22948 alt_id: CHEBI:3234 alt_id: CHEBI:41208 def: "A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group." [] subset: 3_STAR synonym: "1-butanoic acid" RELATED [HMDB] synonym: "1-butyric acid" RELATED [HMDB] synonym: "1-propanecarboxylic acid" RELATED [MetaCyc] synonym: "4:0" RELATED [ChEBI] synonym: "acide butanoique" RELATED [IUPAC] synonym: "acide butyrique" RELATED [ChEBI] synonym: "butanic acid" RELATED [ChEBI] synonym: "Butanoate" RELATED [KEGG_COMPOUND] synonym: "BUTANOIC ACID" RELATED [PDBeChem] synonym: "Butanoic acid" RELATED [KEGG_COMPOUND] synonym: "butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "butoic acid" RELATED [ChEBI] synonym: "Buttersaeure" RELATED [ChEBI] synonym: "Butyric acid" EXACT [KEGG_COMPOUND] synonym: "butyric acid" EXACT [IUPAC] synonym: "C4:0" RELATED [ChEBI] synonym: "CH3-[CH2]2-COOH" RELATED [IUPAC] synonym: "ethylacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-butanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-butyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "propanecarboxylic acid" RELATED [HMDB] synonym: "propylformic acid" RELATED [MetaCyc] xref: Beilstein:906770 {source="Beilstein"} xref: CAS:107-92-6 {source="ChemIDplus"} xref: CAS:107-92-6 {source="NIST Chemistry WebBook"} xref: CAS:107-92-6 {source="KEGG COMPOUND"} xref: DrugBank:DB03568 xref: Gmelin:26242 {source="Gmelin"} xref: HMDB:HMDB0000039 xref: KEGG:C00246 xref: KNApSAcK:C00001180 xref: LIPID_MAPS_instance:LMFA01010004 {source="LIPID MAPS"} xref: MetaCyc:BUTYRIC_ACID xref: PDBeChem:BUA xref: PMID:10736622 {source="Europe PMC"} xref: PMID:10956204 {source="ChEMBL"} xref: PMID:11201044 {source="Europe PMC"} xref: PMID:11208715 {source="Europe PMC"} xref: PMID:11238216 {source="Europe PMC"} xref: PMID:11305323 {source="Europe PMC"} xref: PMID:12068484 {source="Europe PMC"} xref: PMID:13678314 {source="Europe PMC"} xref: PMID:14962641 {source="Europe PMC"} xref: PMID:1542095 {source="ChEMBL"} xref: PMID:15809727 {source="Europe PMC"} xref: PMID:15810631 {source="Europe PMC"} xref: PMID:15938880 {source="Europe PMC"} xref: PMID:19318247 {source="Europe PMC"} xref: PMID:19366864 {source="Europe PMC"} xref: PMID:19703412 {source="Europe PMC"} xref: PMID:21699495 {source="Europe PMC"} xref: PMID:22038864 {source="Europe PMC"} xref: PMID:22194341 {source="Europe PMC"} xref: PMID:22322557 {source="Europe PMC"} xref: PMID:22339023 {source="Europe PMC"} xref: PMID:22466881 {source="Europe PMC"} xref: Reaxys:906770 {source="Reaxys"} xref: Wikipedia:Butyric_acid is_a: CHEBI:140601 ! fatty acid 4:0 is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: is_conjugate_acid_of CHEBI:17968 ! butyrate relationship: RO:0000087 CHEBI:131604 ! has role Mycoplasma genitalium metabolite relationship: RO:0000087 CHEBI:84087 ! has role human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FERIUCNNQQJTOY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.10510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(O)=O" xsd:string [Term] id: CHEBI:30776 name: hexanoic acid namespace: chebi_ontology alt_id: CHEBI:24571 alt_id: CHEBI:40213 alt_id: CHEBI:5702 def: "A C6, straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "1-hexanoic acid" RELATED [ChemIDplus] synonym: "1-pentanecarboxylic acid" RELATED [ChemIDplus] synonym: "6:0" RELATED [ChEBI] synonym: "butylacetic acid" RELATED [ChemIDplus] synonym: "C6:0" RELATED [ChEBI] synonym: "caproic acid" RELATED [ChEBI] synonym: "capronic acid" RELATED [NIST_Chemistry_WebBook] synonym: "CH3-[CH2]4-COOH" RELATED [IUPAC] synonym: "Hexanoate" RELATED [KEGG_COMPOUND] synonym: "HEXANOIC ACID" EXACT [PDBeChem] synonym: "Hexanoic acid" EXACT [KEGG_COMPOUND] synonym: "hexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hexoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Hexylic acid" RELATED [KEGG_COMPOUND] synonym: "n-Caproic acid" RELATED [KEGG_COMPOUND] synonym: "n-hexanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-hexoic acid" RELATED [ChemIDplus] synonym: "n-hexylic acid" RELATED [ChemIDplus] synonym: "Pentanecarboxylic acid" RELATED [ChemIDplus] synonym: "pentiformic acid" RELATED [ChemIDplus] synonym: "pentylformic acid" RELATED [ChemIDplus] xref: Beilstein:773837 {source="Beilstein"} xref: CAS:142-62-1 {source="NIST Chemistry WebBook"} xref: CAS:142-62-1 {source="KEGG COMPOUND"} xref: CAS:142-62-1 {source="ChemIDplus"} xref: ECMDB:ECMDB21229 xref: Gmelin:185066 {source="Gmelin"} xref: HMDB:HMDB0000535 xref: KEGG:C01585 xref: KNApSAcK:C00001218 xref: LIPID_MAPS_instance:LMFA01010006 {source="LIPID MAPS"} xref: MetaCyc:HEXANOATE xref: PDBeChem:6NA xref: PMID:10685018 {source="Europe PMC"} xref: PMID:1556177 {source="Europe PMC"} xref: PMID:24357269 {source="Europe PMC"} xref: PMID:24924750 {source="Europe PMC"} xref: Reaxys:773837 {source="Reaxys"} xref: Wikipedia:Hexanoic_acid xref: YMDB:YMDB01424 is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: is_conjugate_acid_of CHEBI:17120 ! hexanoate relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUZZWVXGSFPDMH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.15830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC(O)=O" xsd:string [Term] id: CHEBI:30879 name: alcohol namespace: chebi_ontology alt_id: CHEBI:13804 alt_id: CHEBI:22288 alt_id: CHEBI:2553 def: "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom." [] subset: 3_STAR synonym: "Alcohol" EXACT [KEGG_COMPOUND] synonym: "alcohols" EXACT IUPAC_NAME [IUPAC] synonym: "an alcohol" RELATED [UniProt] xref: KEGG:C00069 is_a: CHEBI:33822 ! organic hydroxy compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[*]" xsd:string [Term] id: CHEBI:30938 name: 6-aminopenicillanate namespace: chebi_ontology alt_id: CHEBI:12207 alt_id: CHEBI:20704 subset: 3_STAR synonym: "(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:604420 {source="Gmelin"} xref: KEGG:C02954 is_a: CHEBI:51356 ! penicillinate anion relationship: is_conjugate_acid_of CHEBI:16705 ! 6-aminopenicillanic acid relationship: is_conjugate_base_of CHEBI:57869 ! 6-aminopenicillanic acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGHVIOIJCVXTGV-ALEPSDHESA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "215.25062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "215.04959" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(N)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O" xsd:string [Term] id: CHEBI:3098 name: bile acid namespace: chebi_ontology def: "Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration." [] subset: 3_STAR synonym: "5beta-bile acid" RELATED [ChEBI] synonym: "5beta-bile acids" RELATED [ChEBI] synonym: "Bile acid" EXACT [KEGG_COMPOUND] synonym: "bile acids" RELATED [ChEBI] synonym: "Bile salt" RELATED [KEGG_COMPOUND] synonym: "Gallensaeure" RELATED [ChEBI] synonym: "Gallensaeuren" RELATED [ChEBI] xref: KEGG:C01558 is_a: CHEBI:138366 ! bile acids is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid [Term] id: CHEBI:31011 name: valerate namespace: chebi_ontology alt_id: CHEBI:14751 alt_id: CHEBI:25890 def: "A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals." [] subset: 3_STAR synonym: "CH3-[CH2]3-COO(-)" RELATED [IUPAC] synonym: "n-propylacetate" RELATED [ChEBI] synonym: "pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pentanoate" RELATED [UniProt] synonym: "pentanoic acid, ion(1-)" RELATED [ChemIDplus] xref: Beilstein:3903735 {source="Beilstein"} xref: CAS:10023-74-2 {source="ChemIDplus"} xref: Gmelin:325619 {source="Gmelin"} xref: PMID:17314444 {source="Europe PMC"} xref: PMID:18783570 {source="Europe PMC"} xref: Reaxys:3903735 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:17418 ! valeric acid relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.12376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC([O-])=O" xsd:string [Term] id: CHEBI:32442 name: L-cysteinate(1-) namespace: chebi_ontology def: "The L-enantiomer of cysteinate(1-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2R)-2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "hydrogen L-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinate(1-)" EXACT [JCBN] synonym: "L-cysteine anion" RELATED [NIST_Chemistry_WebBook] synonym: "L-cysteine monoanion" RELATED [JCBN] xref: Beilstein:4128886 {source="Beilstein"} xref: Gmelin:325857 {source="Gmelin"} xref: Reaxys:4128886 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32456 ! cysteinate(1-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_acid_of CHEBI:32443 ! L-cysteinate(2-) relationship: is_conjugate_base_of CHEBI:17561 ! L-cysteine relationship: is_conjugate_base_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32449 ! D-cysteinate(1-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:32443 name: L-cysteinate(2-) namespace: chebi_ontology def: "The L-enantiomer of cysteinate(2-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "L-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinate(2-)" EXACT [JCBN] synonym: "L-cysteine dianion" RELATED [JCBN] xref: Beilstein:5921923 {source="Beilstein"} xref: Gmelin:325856 {source="Gmelin"} xref: Reaxys:5921923 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32457 ! cysteinate(2-) relationship: is_conjugate_base_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_enantiomer_of CHEBI:32450 ! D-cysteinate(2-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32445 name: L-cysteinium namespace: chebi_ontology def: "The L-enantiomer of cysteinium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "(1R)-1-carboxy-2-sulfanylethanaminium" RELATED [IUPAC] synonym: "L-cysteine cation" RELATED [JCBN] synonym: "L-cysteinium" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinium(1+)" RELATED [ChEBI] xref: Gmelin:325860 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32458 ! cysteinium relationship: is_conjugate_acid_of CHEBI:17561 ! L-cysteine relationship: is_conjugate_acid_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32451 ! D-cysteinium relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:32449 name: D-cysteinate(1-) namespace: chebi_ontology def: "The D-enantiomer of cysteinate(1-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2S)-2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "D-cysteinate(1-)" EXACT [JCBN] synonym: "D-cysteine monoanion" RELATED [JCBN] synonym: "hydrogen D-cysteinate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1006156 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_acid_of CHEBI:32450 ! D-cysteinate(2-) relationship: is_conjugate_base_of CHEBI:16375 ! D-cysteine relationship: is_conjugate_base_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32442 ! L-cysteinate(1-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:32450 name: D-cysteinate(2-) namespace: chebi_ontology def: "The D-enantiomer of cysteinate(2-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "D-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-cysteinate(2-)" EXACT [JCBN] synonym: "D-cysteine dianion" RELATED [JCBN] xref: Gmelin:1342792 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32457 ! cysteinate(2-) relationship: is_conjugate_base_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_enantiomer_of CHEBI:32443 ! L-cysteinate(2-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32451 name: D-cysteinium namespace: chebi_ontology def: "The D-enantiomer of cysteinium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "(1S)-1-carboxy-2-sulfanylethanaminium" RELATED [IUPAC] synonym: "D-cysteine cation" RELATED [JCBN] synonym: "D-cysteinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:363237 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32458 ! cysteinium relationship: is_conjugate_acid_of CHEBI:16375 ! D-cysteine relationship: is_conjugate_acid_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32445 ! L-cysteinium relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:32456 name: cysteinate(1-) namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "cys(-)" RELATED [IUPAC] synonym: "cysteinate(1-)" EXACT [JCBN] synonym: "cysteine monoanion" RELATED [JCBN] synonym: "hydrogen cysteinate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4128885 {source="Beilstein"} xref: Gmelin:363235 {source="Gmelin"} xref: Reaxys:4128885 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_acid_of CHEBI:32457 ! cysteinate(2-) relationship: is_conjugate_base_of CHEBI:15356 ! cysteine relationship: is_conjugate_base_of CHEBI:35237 ! cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C([O-])=O" xsd:string [Term] id: CHEBI:32457 name: cysteinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteinate(2-)" EXACT [JCBN] synonym: "cysteine dianion" RELATED [JCBN] xref: Gmelin:49990 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32456 ! cysteinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32458 name: cysteinium namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "1-carboxy-2-sulfanylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine cation" RELATED [JCBN] synonym: "cysteinium" EXACT [JCBN] synonym: "H2cys(+)" RELATED [IUPAC] xref: Gmelin:325859 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:15356 ! cysteine relationship: is_conjugate_acid_of CHEBI:35237 ! cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CS)C(O)=O" xsd:string [Term] id: CHEBI:32504 name: phenylalaninate namespace: chebi_ontology def: "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-phenylpropanoate" RELATED [IUPAC] synonym: "phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "phenylalanine anion" RELATED [JCBN] xref: Gmelin:329083 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63473 ! aromatic amino-acid anion relationship: is_conjugate_base_of CHEBI:28044 ! phenylalanine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32505 name: phenylalaninium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "phenylalanine cation" RELATED [JCBN] synonym: "phenylalaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:28044 ! phenylalanine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32507 name: glycinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino." [] subset: 3_STAR synonym: "carboxymethanaminium" RELATED [IUPAC] synonym: "glycine cation" RELATED [JCBN] synonym: "glycinium" EXACT IUPAC_NAME [IUPAC] synonym: "H2gly(+)" RELATED [IUPAC] synonym: "NH3(+)-CH2-COOH" RELATED [IUPAC] xref: Gmelin:323509 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:15428 ! glycine relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.07458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.03930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CC(O)=O" xsd:string [Term] id: CHEBI:32508 name: glycinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "aminoacetate" RELATED [IUPAC] synonym: "gly(-)" RELATED [IUPAC] synonym: "glycinate" EXACT IUPAC_NAME [IUPAC] synonym: "glycine anion" RELATED [JCBN] synonym: "H2N-CH2-COO(-)" RELATED [IUPAC] xref: Beilstein:1852023 {source="Beilstein"} xref: Gmelin:81890 {source="Gmelin"} xref: Reaxys:1852023 {source="Reaxys"} xref: UM-BBD_compID:c0559 {source="UM-BBD"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:15428 ! glycine relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC([O-])=O" xsd:string [Term] id: CHEBI:32544 name: nicotinate namespace: chebi_ontology alt_id: CHEBI:14650 alt_id: CHEBI:22851 alt_id: CHEBI:25530 def: "A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "3-pyridinecarboxylate" RELATED [ChEBI] synonym: "nicotinate" EXACT [UniProt] synonym: "pyridine-3-carboxylate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3539722 {source="Beilstein"} xref: Gmelin:327384 {source="Gmelin"} xref: MetaCyc:NIACINE xref: PMID:17190852 {source="Europe PMC"} xref: PMID:21742010 {source="Europe PMC"} xref: PMID:21953179 {source="Europe PMC"} xref: Reaxys:3539722 {source="Reaxys"} is_a: CHEBI:176839 ! vitamin B3 is_a: CHEBI:38181 ! pyridinemonocarboxylate relationship: is_conjugate_base_of CHEBI:15940 ! nicotinic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVNIIMVLHYAWGP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.10150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)c1cccnc1" xsd:string [Term] id: CHEBI:32563 name: lysinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2,6-diaminohexanoate" RELATED [IUPAC] synonym: "lys(-)" RELATED [IUPAC] synonym: "lysinate" EXACT IUPAC_NAME [IUPAC] synonym: "lysinate(1-)" RELATED [ChEBI] synonym: "lysine anion" RELATED [JCBN] xref: Gmelin:815095 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:25094 ! lysine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.17970" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.09825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCCC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32564 name: lysinium(1+) namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group." [] subset: 3_STAR synonym: "2,6-diammoniohexanoate" RELATED [IUPAC] synonym: "lysine monocation" RELATED [JCBN] synonym: "lysinium" EXACT IUPAC_NAME [IUPAC] synonym: "lysinium(1+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:25094 ! lysine relationship: is_conjugate_base_of CHEBI:32565 ! lysinium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.19558" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32565 name: lysinium(2+) namespace: chebi_ontology def: "An alpha-amino-acid cation obtained by protonation of both amino groups of lysine." [] subset: 3_STAR synonym: "1-carboxypentane-1,5-diaminium" RELATED [IUPAC] synonym: "lysine dication" RELATED [JCBN] synonym: "lysinediium" EXACT IUPAC_NAME [IUPAC] synonym: "lysinium(2+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32564 ! lysinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.12008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32600 name: tetracene namespace: chebi_ontology def: "An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement." [] subset: 3_STAR synonym: "2,3-benzanthracene" RELATED [NIST_Chemistry_WebBook] synonym: "benz[b]anthracene" RELATED [NIST_Chemistry_WebBook] synonym: "naphthacene" RELATED [IUPAC] synonym: "tetracene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1909299 {source="Beilstein"} xref: CAS:92-24-0 {source="NIST Chemistry WebBook"} xref: CAS:92-24-0 {source="ChemIDplus"} xref: Gmelin:306993 {source="Gmelin"} xref: PMID:11493061 {source="Europe PMC"} xref: PMID:24655187 {source="Europe PMC"} xref: Reaxys:1909299 {source="Reaxys"} xref: Wikipedia:Tetracene is_a: CHEBI:35297 ! acene is_a: CHEBI:51270 ! tetracenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IFLREYGFSNHWGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.28788" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2cc3cc4ccccc4cc3cc2c1" xsd:string [Term] id: CHEBI:32612 name: isoleucinate namespace: chebi_ontology subset: 3_STAR synonym: "ile(-)" RELATED [IUPAC] synonym: "isoleucinate" EXACT IUPAC_NAME [IUPAC] synonym: "isoleucine anion" RELATED [JCBN] synonym: "rel-(2R,3R)-2-amino-3-methylpentanoate" RELATED [IUPAC] xref: Gmelin:101585 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:24898 ! isoleucine [Term] id: CHEBI:32613 name: isoleucinium namespace: chebi_ontology subset: 3_STAR synonym: "H2ile(+)" RELATED [IUPAC] synonym: "isoleucine cation" RELATED [JCBN] synonym: "isoleucinium" EXACT IUPAC_NAME [IUPAC] synonym: "rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium" RELATED [IUPAC] xref: Gmelin:1651827 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:24898 ! isoleucine [Term] id: CHEBI:32627 name: leucinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-4-methylpentanoate" RELATED [IUPAC] synonym: "leu(-)" RELATED [IUPAC] synonym: "leucinate" EXACT IUPAC_NAME [IUPAC] synonym: "leucine anion" RELATED [JCBN] xref: Reaxys:5245805 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63471 ! branched-chain amino-acid anion relationship: is_conjugate_base_of CHEBI:25017 ! leucine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.16502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.08735" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32628 name: leucinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-3-methylbutan-1-aminium" RELATED [IUPAC] synonym: "H2leu(+)" RELATED [IUPAC] synonym: "leucine cation" RELATED [JCBN] synonym: "leucinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1651836 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:25017 ! leucine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.18090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.10191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32631 name: L-methioninate namespace: chebi_ontology def: "The L-enantiomer of methioninate." [] subset: 3_STAR synonym: "(2S)-2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "L-methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-methionine anion" RELATED [JCBN] xref: Beilstein:4740675 {source="Beilstein"} xref: Gmelin:326566 {source="Gmelin"} xref: Reaxys:4740675 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32644 ! methioninate relationship: is_conjugate_base_of CHEBI:16643 ! L-methionine relationship: is_enantiomer_of CHEBI:32637 ! D-methioninate relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-BYPYZUCNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.04377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32632 name: L-methioninium namespace: chebi_ontology def: "The L-enantiomer of methioninium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "L-methionine cation" RELATED [JCBN] synonym: "L-methioninium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1568767 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32646 ! methioninium relationship: is_conjugate_acid_of CHEBI:16643 ! L-methionine relationship: is_enantiomer_of CHEBI:32638 ! D-methioninium relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-BYPYZUCNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.22032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05833" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32637 name: D-methioninate namespace: chebi_ontology def: "The D-enantiomer of methioninate." [] subset: 3_STAR synonym: "(2R)-2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "D-methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-methionine anion" RELATED [JCBN] xref: Gmelin:720123 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32644 ! methioninate relationship: is_conjugate_base_of CHEBI:16867 ! D-methionine relationship: is_enantiomer_of CHEBI:32631 ! L-methioninate relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-SCSAIBSYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.04377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32638 name: D-methioninium namespace: chebi_ontology def: "The D-enantiomer of methioninium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "D-methionine cation" RELATED [JCBN] synonym: "D-methioninium" EXACT IUPAC_NAME [IUPAC] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32646 ! methioninium relationship: is_conjugate_acid_of CHEBI:16867 ! D-methionine relationship: is_enantiomer_of CHEBI:32632 ! L-methioninium relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-SCSAIBSYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.22032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05833" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32644 name: methioninate namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "met(-)" RELATED [IUPAC] synonym: "methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "methionine anion" RELATED [JCBN] xref: Beilstein:3937270 {source="Beilstein"} xref: Gmelin:326565 {source="Gmelin"} xref: Reaxys:3937270 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_base_of CHEBI:16811 ! methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.04377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32646 name: methioninium namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "H2met(+)" RELATED [IUPAC] synonym: "methionine cation" RELATED [JCBN] synonym: "methioninium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:326567 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:16811 ! methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.22032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05833" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32695 name: argininate namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "arg(-)" RELATED [IUPAC] synonym: "argininate" EXACT IUPAC_NAME [IUPAC] synonym: "arginine anion" RELATED [JCBN] xref: Gmelin:603497 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:29016 ! arginine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.19318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.10440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=N)C([O-])=O" xsd:string [Term] id: CHEBI:32696 name: argininium(1+) namespace: chebi_ontology subset: 3_STAR synonym: "2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "arginine" RELATED [UniProt] synonym: "arginine monocation" RELATED [JCBN] synonym: "argininium" EXACT IUPAC_NAME [IUPAC] synonym: "argininium(1+)" EXACT [JCBN] synonym: "H2arg(+)" RELATED [IUPAC] xref: Gmelin:1345599 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:29016 ! arginine relationship: is_conjugate_base_of CHEBI:32697 ! argininium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.20906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.11895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32697 name: argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "(1-carboxy-4-guanidiniobutyl)ammonium" RELATED [ChEBI] synonym: "arginine dication" RELATED [JCBN] synonym: "argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "argininium(2+)" EXACT [JCBN] synonym: "H3arg(2+)" RELATED [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32696 ! argininium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.21700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.12623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32784 name: tyrosinate(1-) namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-(4-hydroxyphenyl)propanoate" RELATED [IUPAC] synonym: "hydrogen tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosinate(1-)" EXACT [JCBN] synonym: "tyrosine anion" RELATED [JCBN] xref: Beilstein:3548387 {source="Beilstein"} xref: Beilstein:4139515 {source="Beilstein"} xref: Gmelin:329372 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_acid_of CHEBI:32785 ! tyrosinate(2-) relationship: is_conjugate_base_of CHEBI:18186 ! tyrosine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.18064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(O)cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32785 name: tyrosinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-(4-oxidophenyl)propanoate" RELATED [IUPAC] synonym: "tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosinate(2-)" EXACT [JCBN] synonym: "tyrosine dianion" RELATED [JCBN] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32784 ! tyrosinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.17270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05934" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc([O-])cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32786 name: tyrosinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-2-(4-hydroxyphenyl)ethanaminium" RELATED [IUPAC] synonym: "tyrosine cation" RELATED [JCBN] synonym: "tyrosinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:18186 ! tyrosine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.19652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.08117" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:32816 name: pyruvic acid namespace: chebi_ontology alt_id: CHEBI:26466 alt_id: CHEBI:45253 alt_id: CHEBI:8685 def: "A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis." [] subset: 3_STAR synonym: "2-ketopropionic acid" RELATED [ChemIDplus] synonym: "2-Oxopropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-oxopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropanoic acid" RELATED [ChEBI] synonym: "2-Oxopropansaeure" RELATED [ChemIDplus] synonym: "2-Oxopropionsaeure" RELATED [ChemIDplus] synonym: "Acetylformic acid" RELATED [HMDB] synonym: "acetylformic acid" RELATED [NIST_Chemistry_WebBook] synonym: "acide pyruvique" RELATED [ChEBI] synonym: "alpha-ketopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Oxopropionsaeure" RELATED [ChemIDplus] synonym: "Brenztraubensaeure" RELATED [ChEBI] synonym: "BTS" RELATED [ChemIDplus] synonym: "CH3COCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "Pyroracemic acid" RELATED [KEGG_COMPOUND] synonym: "PYRUVIC ACID" EXACT [PDBeChem] synonym: "Pyruvic acid" EXACT [KEGG_COMPOUND] synonym: "pyruvic acid" EXACT [ChEBI] xref: Beilstein:506211 {source="Beilstein"} xref: CAS:127-17-3 {source="ChemIDplus"} xref: CAS:127-17-3 {source="NIST Chemistry WebBook"} xref: DrugBank:DB00119 xref: ECMDB:ECMDB00243 xref: Gmelin:101087 {source="Gmelin"} xref: HMDB:HMDB0000243 xref: KEGG:C00022 xref: KNApSAcK:C00001200 xref: LIPID_MAPS_instance:LMFA01060077 {source="LIPID MAPS"} xref: MetaCyc:PYRUVATE xref: PDBeChem:PYR xref: PMID:11762589 {source="Europe PMC"} xref: PMID:19260671 {source="Europe PMC"} xref: PMID:22150460 {source="Europe PMC"} xref: PMID:22233273 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:506211 {source="Reaxys"} xref: Wikipedia:Pyruvic_acid xref: YMDB:YMDB00175 is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: is_conjugate_acid_of CHEBI:15361 ! pyruvate relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCTONWCANYUPML-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.06206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)C(O)=O" xsd:string [Term] id: CHEBI:32836 name: L-serinate namespace: chebi_ontology def: "A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-amino-3-hydroxypropanoate" RELATED [IUPAC] synonym: "L-serinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-serine anion" RELATED [JCBN] xref: Beilstein:4372751 {source="Beilstein"} xref: Gmelin:324693 {source="Gmelin"} is_a: CHEBI:32845 ! serinate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:17115 ! L-serine relationship: is_enantiomer_of CHEBI:32840 ! D-serinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-REOHCLBHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.08468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03532" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CO)C([O-])=O" xsd:string [Term] id: CHEBI:32837 name: L-serinium namespace: chebi_ontology def: "A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-hydroxyethanaminium" RELATED [IUPAC] synonym: "L-serine cation" RELATED [JCBN] synonym: "L-serinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32846 ! serinium relationship: is_conjugate_acid_of CHEBI:17115 ! L-serine relationship: is_enantiomer_of CHEBI:32841 ! D-serinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-REOHCLBHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.04987" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CO)C(O)=O" xsd:string [Term] id: CHEBI:32840 name: D-serinate namespace: chebi_ontology def: "The D-enantiomer of serinate." [] subset: 3_STAR synonym: "(2R)-2-amino-3-hydroxypropanoate" RELATED [IUPAC] synonym: "D-serinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-serine anion" RELATED [JCBN] xref: Gmelin:745975 {source="Gmelin"} is_a: CHEBI:32845 ! serinate relationship: is_conjugate_base_of CHEBI:16523 ! D-serine relationship: is_enantiomer_of CHEBI:32836 ! L-serinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UWTATZPHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.08468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03532" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CO)C([O-])=O" xsd:string [Term] id: CHEBI:32841 name: D-serinium namespace: chebi_ontology def: "The D-enantiomer of serinium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-hydroxyethanaminium" RELATED [IUPAC] synonym: "D-serine cation" RELATED [JCBN] synonym: "D-serinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32846 ! serinium relationship: is_conjugate_acid_of CHEBI:16523 ! D-serine relationship: is_enantiomer_of CHEBI:32837 ! L-serinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UWTATZPHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.04987" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CO)C(O)=O" xsd:string [Term] id: CHEBI:32845 name: serinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of serine." [] subset: 3_STAR synonym: "2-amino-3-hydroxypropanoate" RELATED [IUPAC] synonym: "serinate" EXACT IUPAC_NAME [IUPAC] synonym: "serine anion" RELATED [JCBN] xref: Gmelin:324692 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:17822 ! serine relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.08468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03532" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CO)C([O-])=O" xsd:string [Term] id: CHEBI:32846 name: serinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of serine." [] subset: 3_STAR synonym: "1-carboxy-2-hydroxyethanaminium" RELATED [IUPAC] synonym: "serine cation" RELATED [JCBN] synonym: "serinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1925675 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:17822 ! serine relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.04987" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CO)C(O)=O" xsd:string [Term] id: CHEBI:32859 name: valinate namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-methylbutanoate" RELATED [IUPAC] synonym: "val(-)" RELATED [IUPAC] synonym: "valinate" EXACT IUPAC_NAME [IUPAC] synonym: "valine anion" RELATED [JCBN] xref: Gmelin:49876 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63471 ! branched-chain amino-acid anion relationship: is_conjugate_base_of CHEBI:27266 ! valine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(N)C([O-])=O" xsd:string [Term] id: CHEBI:32860 name: valinium namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxy-2-methylpropan-1-aminium" RELATED [IUPAC] synonym: "H2val(+)" RELATED [IUPAC] synonym: "valine cation" RELATED [JCBN] synonym: "valinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1651060 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:27266 ! valine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.15432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32876 name: tertiary amine namespace: chebi_ontology alt_id: CHEBI:26879 alt_id: CHEBI:9458 def: "A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "R3N" RELATED [IUPAC] synonym: "tertiaeres Amin" RELATED [ChEBI] synonym: "Tertiary amine" EXACT [KEGG_COMPOUND] synonym: "tertiary amines" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02196 is_a: CHEBI:32952 ! amine is_a: CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.00670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])[*]" xsd:string [Term] id: CHEBI:32877 name: primary amine namespace: chebi_ontology alt_id: CHEBI:26263 alt_id: CHEBI:26265 alt_id: CHEBI:8407 alt_id: CHEBI:8409 def: "A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group." [] subset: 3_STAR synonym: "primaeres Amin" RELATED [ChEBI] synonym: "Primary amine" EXACT [KEGG_COMPOUND] synonym: "primary amines" EXACT IUPAC_NAME [IUPAC] synonym: "Primary monoamine" RELATED [KEGG_COMPOUND] synonym: "R-NH2" RELATED [IUPAC] synonym: "RCH2NH2" RELATED [KEGG_COMPOUND] xref: KEGG:C00375 xref: KEGG:C00893 xref: KEGG:C02580 is_a: CHEBI:32952 ! amine is_a: CHEBI:50994 ! primary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.02260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[*]" xsd:string [Term] id: CHEBI:32879 name: propane namespace: chebi_ontology subset: 3_STAR synonym: "CH3-CH2-CH3" RELATED [IUPAC] synonym: "E944" RELATED [ChEBI] synonym: "Propan" RELATED [ChEBI] synonym: "propane" EXACT IUPAC_NAME [IUPAC] synonym: "propane" EXACT [UniProt] xref: Beilstein:1730718 {source="Beilstein"} xref: CAS:74-98-6 {source="NIST Chemistry WebBook"} xref: CAS:74-98-6 {source="ChemIDplus"} xref: Gmelin:25044 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane relationship: RO:0000087 CHEBI:78017 ! has role food propellant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATUOYWHBWRKTHZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.09562" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC" xsd:string [Term] id: CHEBI:32952 name: amine namespace: chebi_ontology alt_id: CHEBI:13814 alt_id: CHEBI:22474 alt_id: CHEBI:2641 def: "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "Amin" RELATED [ChEBI] synonym: "Amine" EXACT [KEGG_COMPOUND] synonym: "amines" EXACT IUPAC_NAME [IUPAC] synonym: "Substituted amine" RELATED [KEGG_COMPOUND] xref: KEGG:C00706 is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:32964 name: ornithinate namespace: chebi_ontology alt_id: CHEBI:11448 alt_id: CHEBI:19370 subset: 3_STAR synonym: "2,5-diaminopentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "ornithinate" EXACT IUPAC_NAME [IUPAC] synonym: "ornithine anion" RELATED [JCBN] xref: Gmelin:1242186 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_functional_parent CHEBI:31011 ! valerate relationship: is_conjugate_base_of CHEBI:18257 ! ornithine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHLPHDHHMVZTML-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.15312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.08260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32988 name: amide namespace: chebi_ontology alt_id: CHEBI:22473 alt_id: CHEBI:2633 def: "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." [] subset: 3_STAR synonym: "Amide" EXACT [KEGG_COMPOUND] synonym: "amides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00241 is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:3311 name: calcium carbonate namespace: chebi_ontology def: "A calcium salt with formula CCaO3." [] subset: 3_STAR synonym: "CaCO3" RELATED [IUPAC] synonym: "Calcium carbonate" EXACT [KEGG_COMPOUND] synonym: "calcium carbonate" EXACT IUPAC_NAME [IUPAC] synonym: "calcium carbonate (1:1)" RELATED [ChemIDplus] synonym: "calcium trioxidocarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "Calciumcarbonat" RELATED [ChEBI] synonym: "carbonate de calcium" RELATED [ChEBI] synonym: "carbonato de calcio" RELATED [ChEBI] synonym: "carbonic acid calcium salt (1:1)" RELATED [ChemIDplus] synonym: "E 170" RELATED [ChEBI] synonym: "Kalziumkarbonat" RELATED [ChEBI] synonym: "kohlensaurer Kalk" RELATED [ChEBI] synonym: "Precipitated calcium carbonate" RELATED [KEGG_COMPOUND] xref: BPDB:108 xref: CAS:471-34-1 {source="ChemIDplus"} xref: CAS:471-34-1 {source="NIST Chemistry WebBook"} xref: CAS:471-34-1 {source="KEGG COMPOUND"} xref: DrugBank:DB06724 xref: KEGG:C08129 xref: KEGG:D00932 xref: PPDB:108 xref: Reaxys:8008338 {source="Reaxys"} xref: Wikipedia:Calcium_carbonate is_a: CHEBI:190295 ! inorganic calcium salt is_a: CHEBI:35156 ! calcium salt is_a: CHEBI:46721 ! carbonate salt is_a: CHEBI:64708 ! one-carbon compound relationship: RO:0000087 CHEBI:33287 ! has role fertilizer relationship: RO:0000087 CHEBI:65265 ! has role antacid relationship: RO:0000087 CHEBI:77182 ! has role food colouring relationship: RO:0000087 CHEBI:77960 ! has role food firming agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VTYYLEPIZMXCLO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.087" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.94733" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca+2].C(=O)([O-])[O-]" xsd:string [Term] id: CHEBI:33224 name: chromane namespace: chebi_ontology def: "A benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3." [] subset: 3_STAR synonym: "3,4-dihydro-2H-1-benzopyran" RELATED [NIST_Chemistry_WebBook] synonym: "3,4-dihydro-2H-chromene" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-dihydrobenzo[b]pyran" RELATED [ChEBI] synonym: "Chroman" RELATED [NIST_Chemistry_WebBook] synonym: "chromane" EXACT [IUPAC] xref: Beilstein:116150 {source="Beilstein"} xref: CAS:493-08-3 {source="ChemIDplus"} xref: CAS:493-08-3 {source="NIST Chemistry WebBook"} xref: Gmelin:122981 {source="Gmelin"} xref: Reaxys:116150 {source="Reaxys"} is_a: CHEBI:23230 ! chromanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZWXIQHBIQLMPN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.17510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COc2ccccc2C1" xsd:string [Term] id: CHEBI:33229 name: vitamin (role) namespace: chebi_ontology alt_id: CHEBI:10004 alt_id: CHEBI:27305 def: "A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term \"vitamines\" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines." [] subset: 3_STAR synonym: "vitamin" RELATED [ChEBI] synonym: "vitamina" RELATED [ChEBI] synonym: "vitaminas" RELATED [ChEBI] synonym: "vitamine" RELATED [ChEBI] synonym: "vitamines" RELATED [ChEBI] synonym: "vitamins" RELATED [ChEBI] synonym: "vitaminum" RELATED [ChEBI] xref: Wikipedia:Vitamin is_a: CHEBI:27027 ! micronutrient is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:33231 name: antitubercular agent namespace: chebi_ontology def: "A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis." [] subset: 3_STAR synonym: "antitubercular" RELATED [ChEBI] synonym: "antitubercular agents" RELATED [ChEBI] synonym: "antitubercular drug" RELATED [ChEBI] synonym: "antitubercular drugs" RELATED [ChEBI] synonym: "tuberculostatic agent" RELATED [ChEBI] is_a: CHEBI:64912 ! antimycobacterial drug [Term] id: CHEBI:33232 name: application namespace: chebi_ontology def: "Intended use of the molecular entity or part thereof by humans." [] subset: 3_STAR is_a: CHEBI:50906 ! role [Term] id: CHEBI:33233 name: fundamental particle namespace: chebi_ontology def: "A particle not known to have substructure." [] subset: 3_STAR synonym: "elementary particle" EXACT IUPAC_NAME [IUPAC] synonym: "elementary particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:33234 name: vitamin E namespace: chebi_ontology def: "Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen." [] subset: 3_STAR synonym: "vitamin E" EXACT [ChemIDplus] synonym: "vitamin E vitamer" RELATED [ChEBI] synonym: "vitamin E vitamers" RELATED [ChEBI] synonym: "vitamin-E" RELATED [ChEBI] synonym: "vitamins E" RELATED [ChEBI] xref: MetaCyc:Vitamin-E xref: PMID:33684201 {source="Europe PMC"} xref: PMID:33847203 {source="Europe PMC"} xref: PMID:33896432 {source="Europe PMC"} xref: PMID:34277234 {source="Europe PMC"} xref: PMID:34278890 {source="Europe PMC"} xref: PMID:7898412 {source="Europe PMC"} xref: PMID:7901680 {source="Europe PMC"} xref: Wikipedia:Vitamin_E is_a: BFO:0000004 ! independent continuant is_a: CHEBI:23229 ! chromanol relationship: has_functional_parent CHEBI:78631 ! chroman-6-ol relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:24020 ! has role fat-soluble vitamin (role) [Term] id: CHEBI:33238 name: monoatomic entity namespace: chebi_ontology def: "A monoatomic entity is a molecular entity consisting of a single atom." [] subset: 3_STAR synonym: "atomic entity" RELATED [ChEBI] synonym: "monoatomic entities" RELATED [ChEBI] is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33240 name: coordination entity namespace: chebi_ontology def: "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands)." [] subset: 3_STAR synonym: "coordination compounds" RELATED [ChEBI] synonym: "coordination entities" EXACT IUPAC_NAME [IUPAC] synonym: "coordination entity" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:33241 name: oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "oxoacid derivatives" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_functional_parent CHEBI:24833 ! oxoacid [Term] id: CHEBI:33242 name: inorganic hydride namespace: chebi_ontology subset: 3_STAR synonym: "inorganic hydrides" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:33245 name: organic fundamental parent namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "organic fundamental parents" RELATED [ChEBI] synonym: "organic parent hydrides" RELATED [ChEBI] is_a: CHEBI:37175 ! organic hydride is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33246 name: inorganic group namespace: chebi_ontology def: "Any substituent group which does not contain carbon." [] subset: 3_STAR synonym: "inorganic groups" RELATED [ChEBI] is_a: CHEBI:24433 ! group [Term] id: CHEBI:33247 name: organic group namespace: chebi_ontology def: "Any substituent group or skeleton containing carbon." [] subset: 3_STAR synonym: "organic groups" RELATED [ChEBI] is_a: CHEBI:24433 ! group relationship: is_substituent_group_from CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33248 name: hydrocarbyl group namespace: chebi_ontology def: "A univalent group formed by removing a hydrogen atom from a hydrocarbon." [] subset: 3_STAR synonym: "groupe hydrocarbyle" RELATED [IUPAC] synonym: "grupo hidrocarbilo" RELATED [IUPAC] synonym: "grupos hidrocarbilo" RELATED [IUPAC] synonym: "hydrocarbyl group" EXACT [IUPAC] synonym: "hydrocarbyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33249 ! organyl group relationship: is_substituent_group_from CHEBI:24632 ! hydrocarbon [Term] id: CHEBI:33249 name: organyl group namespace: chebi_ontology def: "Any organic substituent group, regardless of functional type, having one free valence at a carbon atom." [] subset: 3_STAR synonym: "groupe organyle" RELATED [IUPAC] synonym: "grupo organilo" RELATED [IUPAC] synonym: "grupos organilo" RELATED [IUPAC] synonym: "organyl group" EXACT IUPAC_NAME [IUPAC] synonym: "organyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51447 ! organic univalent group [Term] id: CHEBI:33250 name: atom namespace: chebi_ontology alt_id: CHEBI:22671 alt_id: CHEBI:23907 def: "A chemical entity constituting the smallest component of an element having the chemical properties of the element." [] subset: 3_STAR synonym: "atom" EXACT IUPAC_NAME [IUPAC] synonym: "atome" RELATED [IUPAC] synonym: "atomo" RELATED [IUPAC] synonym: "atoms" RELATED [ChEBI] synonym: "atomus" RELATED [ChEBI] synonym: "element" RELATED [ChEBI] synonym: "elements" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity relationship: has_part CHEBI:10545 ! electron relationship: has_part CHEBI:33252 ! atomic nucleus [Term] id: CHEBI:33252 name: atomic nucleus namespace: chebi_ontology def: "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." [] subset: 3_STAR synonym: "Atomkern" RELATED [ChEBI] synonym: "Kern" RELATED [ChEBI] synonym: "noyau" RELATED [IUPAC] synonym: "noyau atomique" RELATED [ChEBI] synonym: "nuclei" RELATED [ChEBI] synonym: "nucleo" RELATED [IUPAC] synonym: "nucleo atomico" RELATED [ChEBI] synonym: "nucleus" EXACT IUPAC_NAME [IUPAC] synonym: "nucleus atomi" RELATED [ChEBI] is_a: CHEBI:36347 ! nuclear particle relationship: has_part CHEBI:33253 ! nucleon [Term] id: CHEBI:33253 name: nucleon namespace: chebi_ontology def: "Heavy nuclear particle: proton or neutron." [] subset: 3_STAR synonym: "nucleon" EXACT [IUPAC] synonym: "nucleon" EXACT IUPAC_NAME [IUPAC] synonym: "nucleons" RELATED [ChEBI] synonym: "Nukleon" RELATED [ChEBI] synonym: "Nukleonen" RELATED [ChEBI] is_a: CHEBI:36339 ! baryon is_a: CHEBI:36347 ! nuclear particle [Term] id: CHEBI:33256 name: primary amide namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "primary amide" EXACT [IUPAC] synonym: "primary amides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32988 ! amide [Term] id: CHEBI:33259 name: elemental molecular entity namespace: chebi_ontology def: "A molecular entity all atoms of which have the same atomic number." [] subset: 3_STAR synonym: "homoatomic entity" RELATED [ChEBI] synonym: "homoatomic molecular entities" RELATED [ChEBI] synonym: "homoatomic molecular entity" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:33261 name: organosulfur compound namespace: chebi_ontology alt_id: CHEBI:23010 alt_id: CHEBI:25714 def: "An organosulfur compound is a compound containing at least one carbon-sulfur bond." [] subset: 3_STAR synonym: "organosulfur compound" EXACT [ChEBI] synonym: "organosulfur compounds" RELATED [ChEBI] xref: Wikipedia:Organosulfur_compounds is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:33273 name: polyatomic anion namespace: chebi_ontology def: "An anion consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36358 ! polyatomic ion [Term] id: CHEBI:33280 name: molecular messenger namespace: chebi_ontology subset: 3_STAR synonym: "chemical messenger" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:33281 name: antimicrobial agent namespace: chebi_ontology alt_id: CHEBI:22582 def: "A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans." [] subset: 3_STAR synonym: "antibiotic" RELATED [ChEBI] synonym: "antibiotics" RELATED [ChEBI] synonym: "Antibiotika" RELATED [ChEBI] synonym: "Antibiotikum" RELATED [ChEBI] synonym: "antibiotique" RELATED [IUPAC] synonym: "antimicrobial" RELATED [ChEBI] synonym: "antimicrobial agents" RELATED [ChEBI] synonym: "antimicrobials" RELATED [ChEBI] synonym: "microbicide" RELATED [ChEBI] synonym: "microbicides" RELATED [ChEBI] xref: PMID:12964249 {source="Europe PMC"} xref: PMID:22117953 {source="Europe PMC"} xref: PMID:22439833 {source="Europe PMC"} xref: PMID:22849268 {source="Europe PMC"} xref: PMID:22849276 {source="Europe PMC"} xref: PMID:22958833 {source="Europe PMC"} is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:33282 name: antibacterial agent namespace: chebi_ontology def: "A substance (or active part thereof) that kills or slows the growth of bacteria." [] subset: 3_STAR synonym: "antibacterial agents" RELATED [ChEBI] synonym: "antibacterials" RELATED [ChEBI] synonym: "bactericide" RELATED [ChEBI] synonym: "bactericides" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:33284 name: nutrient namespace: chebi_ontology def: "A nutrient is a food component that an organism uses to survive and grow." [] subset: 3_STAR synonym: "nutrients" RELATED [ChEBI] is_a: CHEBI:78295 ! food component [Term] id: CHEBI:33285 name: heteroorganic entity namespace: chebi_ontology def: "A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms." [] subset: 3_STAR synonym: "heteroorganic entities" RELATED [ChEBI] synonym: "organoelement compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33286 name: agrochemical namespace: chebi_ontology def: "An agrochemical is a substance that is used in agriculture or horticulture." [] subset: 3_STAR synonym: "agrichemical" RELATED [ChEBI] synonym: "agrichemicals" RELATED [ChEBI] synonym: "agricultural chemicals" RELATED [ChEBI] synonym: "agrochemicals" RELATED [ChEBI] xref: Wikipedia:Agrochemical is_a: CHEBI:33232 ! application [Term] id: CHEBI:33287 name: fertilizer namespace: chebi_ontology def: "A fertilizer is any substance that is added to soil or water to assist the growth of plants." [] subset: 3_STAR synonym: "fertiliser" RELATED [ChEBI] synonym: "fertilizers" RELATED [ChEBI] is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:33290 name: food namespace: chebi_ontology def: "A physiological role played by any substance of either plant, animal or artificial origin which contains essential body nutrients that can be ingested by an organism to provide energy, promote growth, and maintain the processes of life." [] subset: 3_STAR synonym: "food material" RELATED [ChEBI] synonym: "food materials" RELATED [ChEBI] synonym: "food role" RELATED [ChEBI] synonym: "foods" RELATED [ChEBI] synonym: "foodstuff" RELATED [ChEBI] synonym: "foodstuffs" RELATED [ChEBI] is_a: CHEBI:52211 ! physiological role relationship: has_part CHEBI:78295 ! food component [Term] id: CHEBI:33292 name: fuel namespace: chebi_ontology def: "An energy-rich substance that can be transformed with release of usable energy." [] subset: 3_STAR is_a: CHEBI:33232 ! application [Term] id: CHEBI:33295 name: diagnostic agent namespace: chebi_ontology def: "A substance administered to aid diagnosis of a disease." [] subset: 3_STAR synonym: "diagnostic aid" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:33296 name: alkali metal molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of an alkali metal." [] subset: 3_STAR synonym: "alkali metal molecular entities" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:22314 ! alkali metal atom [Term] id: CHEBI:33299 name: alkaline earth molecular entity namespace: chebi_ontology def: "An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal." [] subset: 3_STAR synonym: "alkaline earth compounds" RELATED [ChEBI] synonym: "alkaline earth molecular entities" RELATED [ChEBI] synonym: "alkaline earth molecular entity" EXACT [ChEBI] synonym: "alkaline-earth compounds" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:22313 ! alkaline earth metal atom [Term] id: CHEBI:33300 name: pnictogen namespace: chebi_ontology def: "Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth." [] subset: 3_STAR synonym: "group 15 elements" RELATED [ChEBI] synonym: "group V elements" RELATED [ChEBI] synonym: "nitrogenoideos" RELATED [ChEBI] synonym: "nitrogenoides" RELATED [ChEBI] synonym: "pnictogene" RELATED [ChEBI] synonym: "pnictogenes" RELATED [ChEBI] synonym: "pnictogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33302 name: pnictogen molecular entity namespace: chebi_ontology def: "A p-block molecular entity containing any pnictogen." [] subset: 3_STAR synonym: "pnictogen molecular entities" RELATED [ChEBI] synonym: "pnictogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33300 ! pnictogen [Term] id: CHEBI:33303 name: chalcogen namespace: chebi_ontology def: "Any p-block element belonging to the group 16 family of the periodic table." [] subset: 3_STAR synonym: "anfigeno" RELATED [ChEBI] synonym: "anfigenos" RELATED [ChEBI] synonym: "calcogeno" RELATED [ChEBI] synonym: "calcogenos" RELATED [ChEBI] synonym: "chalcogen" EXACT IUPAC_NAME [IUPAC] synonym: "chalcogene" RELATED [ChEBI] synonym: "chalcogenes" RELATED [ChEBI] synonym: "chalcogens" EXACT IUPAC_NAME [IUPAC] synonym: "Chalkogen" RELATED [ChEBI] synonym: "Chalkogene" RELATED [ChEBI] synonym: "group 16 elements" RELATED [ChEBI] synonym: "group VI elements" RELATED [ChEBI] xref: PMID:17084588 {source="Europe PMC"} is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33304 name: chalcogen molecular entity namespace: chebi_ontology def: "Any p-block molecular entity containing a chalcogen." [] subset: 3_STAR synonym: "chalcogen compounds" RELATED [ChEBI] synonym: "chalcogen molecular entities" RELATED [ChEBI] synonym: "chalcogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33303 ! chalcogen [Term] id: CHEBI:33306 name: carbon group element atom namespace: chebi_ontology subset: 3_STAR synonym: "carbon group element" RELATED [ChEBI] synonym: "carbon group elements" RELATED [ChEBI] synonym: "carbonoides" RELATED [ChEBI] synonym: "cristallogene" RELATED [ChEBI] synonym: "cristallogenes" RELATED [ChEBI] synonym: "group 14 elements" EXACT IUPAC_NAME [IUPAC] synonym: "group IV elements" RELATED [ChEBI] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33308 name: carboxylic ester namespace: chebi_ontology alt_id: CHEBI:13204 alt_id: CHEBI:23028 alt_id: CHEBI:3408 def: "An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl." [] subset: 3_STAR synonym: "a carboxylic ester" RELATED [UniProt] synonym: "carboxylic acid esters" RELATED [ChEBI] synonym: "Carboxylic ester" EXACT [KEGG_COMPOUND] synonym: "carboxylic esters" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02391 xref: Wikipedia:Ester is_a: CHEBI:35701 ! ester is_a: CHEBI:36586 ! carbonyl compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)O[*]" xsd:string [Term] id: CHEBI:33318 name: main group element atom namespace: chebi_ontology def: "An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table." [] subset: 3_STAR synonym: "Hauptgruppenelement" RELATED [ChEBI] synonym: "Hauptgruppenelemente" RELATED [ChEBI] synonym: "main group element" RELATED [ChEBI] synonym: "main group elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33250 ! atom [Term] id: CHEBI:33340 name: zinc group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 12 elements" EXACT IUPAC_NAME [IUPAC] synonym: "zinc group element" RELATED [ChEBI] synonym: "zinc group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33356 name: iron group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 8 elements" EXACT IUPAC_NAME [IUPAC] synonym: "iron group element" RELATED [ChEBI] synonym: "iron group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33358 name: cobalt group element atom namespace: chebi_ontology subset: 3_STAR synonym: "cobalt group element" RELATED [ChEBI] synonym: "cobalt group elements" RELATED [ChEBI] synonym: "group 9 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33384 name: L-serine zwitterion namespace: chebi_ontology def: "A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-serine." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-serine" RELATED [UniProt] synonym: "L-serine zwitterion" EXACT [IUPAC] xref: MetaCyc:SER is_a: CHEBI:35243 ! serine zwitterion relationship: is_enantiomer_of CHEBI:35247 ! D-serine zwitterion relationship: is_tautomer_of CHEBI:17115 ! L-serine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CO)C([O-])=O" xsd:string [Term] id: CHEBI:33402 name: sulfur oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "oxoacids of sulfur" RELATED [ChEBI] synonym: "sulfur oxoacids" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33484 ! chalcogen oxoacid [Term] id: CHEBI:33405 name: hydracid namespace: chebi_ontology def: "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [] subset: 3_STAR synonym: "hydracid" EXACT IUPAC_NAME [IUPAC] synonym: "hydracids" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33608 ! hydrogen molecular entity relationship: RO:0000087 CHEBI:39141 ! has role Bronsted acid [Term] id: CHEBI:33408 name: pnictogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid is_a: CHEBI:33302 ! pnictogen molecular entity relationship: RO:0000087 CHEBI:138103 ! has role inorganic acid [Term] id: CHEBI:33424 name: sulfur oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "sulfur oxoacid derivative" EXACT [ChEBI] synonym: "sulfur oxoacid derivatives" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33241 ! oxoacid derivative [Term] id: CHEBI:33429 name: monoatomic monoanion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic monoanions" RELATED [ChEBI] is_a: CHEBI:23905 ! monoatomic anion is_a: CHEBI:36830 ! monoanion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*-]" xsd:string [Term] id: CHEBI:33434 name: elemental halogen namespace: chebi_ontology subset: 3_STAR synonym: "elemental halogen" EXACT [ChEBI] synonym: "elemental halogens" RELATED [ChEBI] is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33452 name: benzylic group namespace: chebi_ontology def: "Arylmethyl groups and derivatives formed by substitution: ArCR2-." [] subset: 3_STAR synonym: "benzylic group" EXACT [IUPAC] synonym: "benzylic groups" EXACT IUPAC_NAME [IUPAC] synonym: "benzylic groups" RELATED [ChEBI] synonym: "groupe benzylique" RELATED [IUPAC] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:33457 name: phosphorus oxoacid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "oxoacids of phosphorus" RELATED [ChEBI] synonym: "Oxosaeure des Phosphors" RELATED [ChEBI] synonym: "phosphorus oxoacid" EXACT [ChEBI] synonym: "phosphorus oxoacids" RELATED [ChEBI] is_a: CHEBI:33408 ! pnictogen oxoacid is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives [Term] id: CHEBI:33459 name: pnictogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen oxoanion" EXACT [ChEBI] synonym: "pnictogen oxoanions" RELATED [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33461 name: phosphorus oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of phosphorus" RELATED [ChEBI] synonym: "phosphorus oxoanion" EXACT [ChEBI] synonym: "phosphorus oxoanions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:33459 ! pnictogen oxoanion [Term] id: CHEBI:33482 name: sulfur oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of sulfur" RELATED [ChEBI] synonym: "sulfur oxoanion" EXACT [ChEBI] synonym: "sulfur oxoanions" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33485 ! chalcogen oxoanion [Term] id: CHEBI:33484 name: chalcogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen oxoacid" EXACT [ChEBI] synonym: "chalcogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid relationship: RO:0000087 CHEBI:138103 ! has role inorganic acid [Term] id: CHEBI:33485 name: chalcogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen oxoanion" EXACT [ChEBI] synonym: "chalcogen oxoanions" RELATED [ChEBI] is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33497 name: transition element molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of a transition element." [] subset: 3_STAR synonym: "transition element molecular entities" RELATED [ChEBI] synonym: "transition metal molecular entity" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:27081 ! transition element atom [Term] id: CHEBI:33504 name: alkali metal cation namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal cations" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation [Term] id: CHEBI:33513 name: alkaline earth cation namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth cations" RELATED [ChEBI] synonym: "alkaline earth metal cation" RELATED [ChEBI] synonym: "alkaline-earth metal cations" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:33299 ! alkaline earth molecular entity [Term] id: CHEBI:33515 name: transition element cation namespace: chebi_ontology subset: 3_STAR synonym: "transition element cations" RELATED [ChEBI] synonym: "transition metal cation" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation [Term] id: CHEBI:33521 name: metal atom namespace: chebi_ontology alt_id: CHEBI:25217 alt_id: CHEBI:6788 def: "An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity." [] subset: 3_STAR synonym: "elemental metal" RELATED [ChEBI] synonym: "elemental metals" RELATED [ChEBI] synonym: "metal element" RELATED [ChEBI] synonym: "metal elements" RELATED [ChEBI] synonym: "metals" RELATED [ChEBI] xref: KEGG:C00050 xref: PMID:21784043 {source="Europe PMC"} xref: Wikipedia:Metal is_a: CHEBI:33250 ! atom [Term] id: CHEBI:33543 name: sulfonate namespace: chebi_ontology def: "The sulfur oxoanion formed by deprotonation of sulfonic acid." [] subset: 3_STAR synonym: "[SHO3](-)" RELATED [IUPAC] synonym: "hydridotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "SHO3(-)" RELATED [IUPAC] synonym: "sulfonates" RELATED [ChEBI] xref: Gmelin:971569 {source="Gmelin"} is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_base_of CHEBI:29214 ! sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDHFUVZGWQCTTF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:33552 name: sulfonic acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "derivatives of sulfonic acid" RELATED [ChEBI] synonym: "sulfonic acid derivative" EXACT [ChEBI] synonym: "sulfonic acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:29214 ! sulfonic acid [Term] id: CHEBI:33558 name: alpha-amino-acid anion namespace: chebi_ontology def: "An amino-acid anion obtained by deprotonation of any alpha-amino acid." [] subset: 3_STAR synonym: "alpha-amino acid anions" RELATED [ChEBI] synonym: "alpha-amino-acid anion" EXACT [ChEBI] synonym: "alpha-amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:33559 name: s-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "s-block element" RELATED [ChEBI] synonym: "s-block elements" RELATED [ChEBI] is_a: CHEBI:33250 ! atom [Term] id: CHEBI:33560 name: p-block element atom namespace: chebi_ontology def: "Any main group element atom belonging to the p-block of the periodic table." [] subset: 3_STAR synonym: "p-block element" RELATED [ChEBI] synonym: "p-block elements" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom [Term] id: CHEBI:33561 name: d-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "d-block element" RELATED [ChEBI] synonym: "d-block elements" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33575 name: carboxylic acid namespace: chebi_ontology alt_id: CHEBI:13428 alt_id: CHEBI:13627 alt_id: CHEBI:23027 def: "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." [] subset: 3_STAR synonym: "acide carboxylique" RELATED [IUPAC] synonym: "acides carboxyliques" RELATED [IUPAC] synonym: "acido carboxilico" RELATED [IUPAC] synonym: "acidos carboxilicos" RELATED [IUPAC] synonym: "Carbonsaeure" RELATED [ChEBI] synonym: "Carbonsaeuren" RELATED [ChEBI] synonym: "carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "Karbonsaeure" RELATED [ChEBI] synonym: "RC(=O)OH" RELATED [IUPAC] xref: PMID:17147560 {source="Europe PMC"} xref: PMID:18433345 {source="Europe PMC"} xref: Wikipedia:Carboxylic_acid is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:64709 ! organic acid relationship: has_part CHEBI:46883 ! carboxy group relationship: is_conjugate_acid_of CHEBI:29067 ! carboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:33576 name: sulfur-containing carboxylic acid namespace: chebi_ontology def: "Any carboxylic acid having a sulfur substituent." [] subset: 3_STAR synonym: "S-containing carboxylic acid" RELATED [ChEBI] synonym: "S-containing carboxylic acids" RELATED [ChEBI] synonym: "sulfur-containing carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:33579 name: main group molecular entity namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "main group compounds" RELATED [ChEBI] synonym: "main group molecular entities" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:33318 ! main group element atom [Term] id: CHEBI:33582 name: carbon group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "carbon group molecular entities" RELATED [ChEBI] synonym: "carbon group molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33306 ! carbon group element atom [Term] id: CHEBI:33595 name: cyclic compound namespace: chebi_ontology def: "Any molecule that consists of a series of atoms joined together to form a ring." [] subset: 3_STAR synonym: "cyclic compounds" RELATED [ChEBI] xref: Wikipedia:Cyclic_compound is_a: CHEBI:25367 ! molecule [Term] id: CHEBI:33597 name: homocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of the same element only." [] subset: 3_STAR synonym: "homocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "homocyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "isocyclic compounds" RELATED [IUPAC] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33598 name: carbocyclic compound namespace: chebi_ontology def: "A homocyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbocycle" RELATED [ChEBI] synonym: "carbocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "carbocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:33608 name: hydrogen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "hydrogen compounds" RELATED [ChEBI] synonym: "hydrogen molecular entities" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:49637 ! hydrogen atom [Term] id: CHEBI:33635 name: polycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33636 name: bicyclic compound namespace: chebi_ontology def: "A molecule that features two fused rings." [] subset: 3_STAR synonym: "bicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33637 name: ortho-fused compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "ortho-fused compounds" RELATED [ChEBI] synonym: "ortho-fused polycyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35293 ! fused compound [Term] id: CHEBI:33653 name: aliphatic compound namespace: chebi_ontology def: "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds." [] subset: 3_STAR synonym: "aliphatic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33655 name: aromatic compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "aromatic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "aromatics" RELATED [ChEBI] synonym: "aromatische Verbindungen" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33658 name: arene namespace: chebi_ontology def: "Any monocyclic or polycyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "arene" EXACT IUPAC_NAME [IUPAC] synonym: "arenes" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic hydrocarbons" RELATED [IUPAC] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33663 ! cyclic hydrocarbon [Term] id: CHEBI:33659 name: organic aromatic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic aromatic compounds" RELATED [ChEBI] is_a: CHEBI:33655 ! aromatic compound is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:33661 name: monocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:33662 name: annulene namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "annulene" EXACT IUPAC_NAME [IUPAC] synonym: "annulenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33664 ! monocyclic hydrocarbon [Term] id: CHEBI:33663 name: cyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "cyclic hydrocarbon" EXACT [ChEBI] synonym: "cyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:33664 name: monocyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic hydrocarbon" EXACT [ChEBI] synonym: "monocyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "monocyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33663 ! cyclic hydrocarbon [Term] id: CHEBI:33666 name: polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic hydrocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "polycyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33663 ! cyclic hydrocarbon is_a: CHEBI:35294 ! carbopolycyclic compound [Term] id: CHEBI:33670 name: heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heteromonocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "heteromonocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33661 ! monocyclic compound is_a: CHEBI:5686 ! heterocyclic compound [Term] id: CHEBI:33671 name: heteropolycyclic compound namespace: chebi_ontology def: "A polycyclic compound in which at least one of the rings contains at least one non-carbon atom." [] subset: 3_STAR synonym: "heteropolycyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "polyheterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:5686 ! heterocyclic compound [Term] id: CHEBI:33672 name: heterobicyclic compound namespace: chebi_ontology def: "A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom." [] subset: 3_STAR synonym: "heterobicyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33636 ! bicyclic compound is_a: CHEBI:5686 ! heterocyclic compound [Term] id: CHEBI:33673 name: zinc group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc group molecular entities" RELATED [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33340 ! zinc group element atom [Term] id: CHEBI:33674 name: s-block molecular entity namespace: chebi_ontology def: "An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element." [] subset: 3_STAR synonym: "s-block compounds" RELATED [ChEBI] synonym: "s-block molecular entities" RELATED [ChEBI] synonym: "s-block molecular entity" EXACT [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33559 ! s-block element atom [Term] id: CHEBI:33675 name: p-block molecular entity namespace: chebi_ontology def: "A main group molecular entity that contains one or more atoms of a p-block element." [] subset: 3_STAR synonym: "p-block compounds" RELATED [ChEBI] synonym: "p-block molecular entities" RELATED [ChEBI] synonym: "p-block molecular entitiy" RELATED [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33676 name: d-block molecular entity namespace: chebi_ontology def: "A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element." [] subset: 3_STAR synonym: "d-block compounds" RELATED [ChEBI] synonym: "d-block molecular entities" RELATED [ChEBI] synonym: "d-block molecular entity" EXACT [ChEBI] is_a: CHEBI:33497 ! transition element molecular entity relationship: has_part CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33692 name: hydrides namespace: chebi_ontology def: "Hydrides are chemical compounds of hydrogen with other chemical elements." [] subset: 3_STAR is_a: CHEBI:33608 ! hydrogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:33694 name: biomacromolecule namespace: chebi_ontology def: "A macromolecule formed by a living organism." [] subset: 3_STAR synonym: "biomacromolecules" RELATED [ChEBI] synonym: "biopolymer" EXACT IUPAC_NAME [IUPAC] synonym: "Biopolymere" RELATED [ChEBI] synonym: "biopolymers" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33695 name: information biomacromolecule namespace: chebi_ontology subset: 3_STAR synonym: "genetically encoded biomacromolecules" RELATED [ChEBI] synonym: "genetically encoded biopolymers" RELATED [ChEBI] synonym: "information biomacromolecules" RELATED [ChEBI] synonym: "information biopolymers" RELATED [ChEBI] synonym: "information macromolecule" RELATED [ChEBI] synonym: "information macromolecules" RELATED [ChEBI] is_a: CHEBI:33694 ! biomacromolecule [Term] id: CHEBI:33700 name: proteinogenic amino-acid residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical amino-acid residue" RELATED [ChEBI] synonym: "canonical amino-acid residues" RELATED [ChEBI] synonym: "common amino acid residues" RELATED [ChEBI] synonym: "proteinogenic amino-acid residues" RELATED [ChEBI] synonym: "standard amino acid residues" RELATED [ChEBI] synonym: "standard amino-acid residues" RELATED [ChEBI] is_a: CHEBI:33710 ! alpha-amino-acid residue [Term] id: CHEBI:33702 name: polyatomic cation namespace: chebi_ontology def: "A cation consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic cations" RELATED [ChEBI] is_a: CHEBI:36358 ! polyatomic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:33703 name: amino-acid cation namespace: chebi_ontology subset: 3_STAR synonym: "amino acid cation" RELATED [ChEBI] synonym: "amino-acid cation" EXACT [ChEBI] synonym: "amino-acid cations" RELATED [ChEBI] is_a: CHEBI:33702 ! polyatomic cation [Term] id: CHEBI:33704 name: alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:10208 alt_id: CHEBI:13779 alt_id: CHEBI:22442 alt_id: CHEBI:2642 def: "An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group." [] subset: 3_STAR synonym: "alpha-amino acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-amino acids" RELATED [JCBN] synonym: "alpha-amino acids" RELATED [ChEBI] synonym: "alpha-amino carboxylic acids" RELATED [IUPAC] synonym: "Amino acid" RELATED [KEGG_COMPOUND] synonym: "Amino acids" RELATED [KEGG_COMPOUND] xref: KEGG:C00045 xref: KEGG:C05167 is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:33558 ! alpha-amino-acid anion relationship: is_tautomer_of CHEBI:78608 ! alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([*])C(O)=O" xsd:string [Term] id: CHEBI:33706 name: beta-amino acid namespace: chebi_ontology def: "A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group." [] subset: 3_STAR synonym: "beta-amino acid" EXACT [ChEBI] synonym: "beta-amino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] id: CHEBI:33707 name: gamma-amino acid namespace: chebi_ontology def: "A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group." [] subset: 3_STAR synonym: "gamma-amino acid" EXACT [ChEBI] synonym: "gamma-amino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid relationship: is_conjugate_acid_of CHEBI:71666 ! gamma-amino acid anion [Term] id: CHEBI:33708 name: amino-acid residue namespace: chebi_ontology def: "When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue." [] subset: 3_STAR synonym: "amino acid residue" RELATED [ChEBI] synonym: "amino-acid residue" EXACT IUPAC_NAME [IUPAC] synonym: "amino-acid residues" RELATED [JCBN] is_a: CHEBI:33247 ! organic group relationship: is_substituent_group_from CHEBI:33709 ! amino acid [Term] id: CHEBI:33709 name: amino acid namespace: chebi_ontology alt_id: CHEBI:13815 alt_id: CHEBI:22477 def: "A carboxylic acid containing one or more amino groups." [] subset: 3_STAR synonym: "amino acids" RELATED [ChEBI] synonym: "Aminocarbonsaeure" RELATED [ChEBI] synonym: "Aminokarbonsaeure" RELATED [ChEBI] synonym: "Aminosaeure" RELATED [ChEBI] xref: Wikipedia:Amino_acid is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_acid_of CHEBI:37022 ! amino-acid anion [Term] id: CHEBI:33710 name: alpha-amino-acid residue namespace: chebi_ontology subset: 3_STAR synonym: "alpha-amino-acid residues" RELATED [ChEBI] is_a: CHEBI:33708 ! amino-acid residue relationship: is_substituent_group_from CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:33719 name: alpha-amino-acid cation namespace: chebi_ontology subset: 3_STAR synonym: "alpha-amino acid cations" RELATED [ChEBI] synonym: "alpha-amino-acid cation" EXACT [ChEBI] synonym: "alpha-amino-acid cations" RELATED [ChEBI] is_a: CHEBI:33703 ! amino-acid cation [Term] id: CHEBI:33720 name: carbohydrate acid namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate acid" EXACT [ChEBI] synonym: "carbohydrate acids" RELATED [ChEBI] is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:33721 ! carbohydrate acid anion [Term] id: CHEBI:33721 name: carbohydrate acid anion namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate acid anion" EXACT [ChEBI] synonym: "carbohydrate acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33720 ! carbohydrate acid [Term] id: CHEBI:33744 name: iron group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iron group molecular entities" RELATED [ChEBI] synonym: "iron group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33356 ! iron group element atom [Term] id: CHEBI:33767 name: cobalt group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cobalt group molecular entities" RELATED [ChEBI] synonym: "cobalt group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33358 ! cobalt group element atom [Term] id: CHEBI:33822 name: organic hydroxy compound namespace: chebi_ontology alt_id: CHEBI:64710 def: "An organic compound having at least one hydroxy group attached to a carbon atom." [] subset: 3_STAR synonym: "hydroxy compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organic alcohol" RELATED [ChEBI] synonym: "organic hydroxy compounds" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33823 name: enol namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "alkenols" RELATED [IUPAC] synonym: "enol" EXACT [IUPAC] synonym: "enols" EXACT IUPAC_NAME [IUPAC] synonym: "enols" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:78840 ! olefinic compound relationship: is_conjugate_acid_of CHEBI:142839 ! enolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "41.029" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=C(*)*)*" xsd:string [Term] id: CHEBI:33832 name: organic cyclic compound namespace: chebi_ontology def: "Any organic molecule that consists of atoms connected in the form of a ring." [] subset: 3_STAR synonym: "organic cyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:33833 name: heteroarene namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "hetarenes" RELATED [IUPAC] synonym: "heteroarenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:33836 name: benzenoid aromatic compound namespace: chebi_ontology subset: 3_STAR synonym: "benzenoid aromatic compounds" RELATED [ChEBI] synonym: "benzenoid compound" RELATED [ChEBI] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:33837 name: conjugated protein namespace: chebi_ontology def: "Conjugated protein is a protein that contains a non-peptide component, usually in stoichiometric proportion." [] subset: 3_STAR synonym: "complex protein" RELATED [COMe] synonym: "conjugated proteins" EXACT IUPAC_NAME [IUPAC] xref: COMe:PRX000001 is_a: CHEBI:36080 ! protein [Term] id: CHEBI:33838 name: nucleoside namespace: chebi_ontology alt_id: CHEBI:13661 alt_id: CHEBI:25611 alt_id: CHEBI:7647 def: "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." [] subset: 3_STAR synonym: "a nucleoside" RELATED [UniProt] synonym: "Nucleoside" EXACT [KEGG_COMPOUND] synonym: "nucleosides" EXACT IUPAC_NAME [IUPAC] synonym: "nucleosides" RELATED [ChEBI] xref: KEGG:C00801 xref: Wikipedia:Nucleoside is_a: CHEBI:21731 ! N-glycosyl compound is_a: CHEBI:26912 ! oxolanes is_a: CHEBI:61120 ! nucleobase-containing molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.115" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO" xsd:string [Term] id: CHEBI:33839 name: macromolecule namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "macromolecule" EXACT IUPAC_NAME [IUPAC] synonym: "macromolecules" RELATED [ChEBI] synonym: "polymer" RELATED [ChEBI] synonym: "polymer molecule" RELATED [IUPAC] synonym: "polymers" RELATED [ChEBI] xref: Wikipedia:Macromolecule is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:33842 name: aromatic annulene namespace: chebi_ontology subset: 3_STAR synonym: "aromatic annulenes" RELATED [ChEBI] is_a: CHEBI:33662 ! annulene is_a: CHEBI:33847 ! monocyclic arene [Term] id: CHEBI:33847 name: monocyclic arene namespace: chebi_ontology def: "A monocyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "monocyclic arenes" RELATED [ChEBI] is_a: CHEBI:33658 ! arene [Term] id: CHEBI:33848 name: polycyclic arene namespace: chebi_ontology def: "A polycyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "PAH" RELATED [ChEBI] synonym: "PAHs" RELATED [ChEBI] synonym: "polycyclic arenes" RELATED [ChEBI] synonym: "polycyclic aromatic hydrocarbons" RELATED [ChEBI] xref: PMID:15198916 {source="Europe PMC"} xref: PMID:25679824 {source="Europe PMC"} xref: Wikipedia:Polycyclic_aromatic_hydrocarbon is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33658 ! arene is_a: CHEBI:33666 ! polycyclic hydrocarbon relationship: RO:0000087 CHEBI:138015 ! has role endocrine disruptor relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent [Term] id: CHEBI:33853 name: phenols namespace: chebi_ontology alt_id: CHEBI:13664 alt_id: CHEBI:13825 alt_id: CHEBI:25969 alt_id: CHEBI:2857 def: "Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring." [] subset: 3_STAR synonym: "a phenol" RELATED [UniProt] synonym: "arenols" RELATED [IUPAC] synonym: "Aryl alcohol" RELATED [KEGG_COMPOUND] synonym: "phenols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C15584 xref: MetaCyc:Phenols xref: Wikipedia:Phenols is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33822 ! organic hydroxy compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.072" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1*)*)*)*)*)O" xsd:string [Term] id: CHEBI:33856 name: aromatic amino acid namespace: chebi_ontology alt_id: CHEBI:13820 alt_id: CHEBI:22623 alt_id: CHEBI:2835 def: "An amino acid whose structure includes an aromatic ring." [] subset: 3_STAR synonym: "Aromatic amino acid" EXACT [KEGG_COMPOUND] synonym: "aromatic amino acids" RELATED [ChEBI] xref: KEGG:C01021 xref: Wikipedia:Aromatic_amino_acid is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63473 ! aromatic amino-acid anion relationship: is_tautomer_of CHEBI:76042 ! aromatic amino-acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string [Term] id: CHEBI:33859 name: aromatic carboxylic acid namespace: chebi_ontology alt_id: CHEBI:13817 alt_id: CHEBI:13821 alt_id: CHEBI:2830 def: "Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring." [] subset: 3_STAR synonym: "aromatic carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:33659 ! organic aromatic compound relationship: is_conjugate_acid_of CHEBI:91007 ! aromatic carboxylate [Term] id: CHEBI:33860 name: aromatic amine namespace: chebi_ontology alt_id: CHEBI:13827 alt_id: CHEBI:22622 alt_id: CHEBI:22646 alt_id: CHEBI:2834 alt_id: CHEBI:2863 def: "An amino compound in which the amino group is linked directly to an aromatic system." [] subset: 3_STAR synonym: "aromatic amines" RELATED [ChEBI] synonym: "aryl amine" RELATED [ChEBI] synonym: "aryl amines" RELATED [ChEBI] synonym: "arylamine" RELATED [ChEBI] synonym: "arylamines" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:33861 name: transition element coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "transition element coordination entities" RELATED [ChEBI] synonym: "transition metal coordination compounds" RELATED [ChEBI] synonym: "transition metal coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33497 ! transition element molecular entity [Term] id: CHEBI:33888 name: cobalt molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cobalt compounds" RELATED [ChEBI] synonym: "cobalt molecular entities" RELATED [ChEBI] synonym: "cobalt molecular entity" EXACT [ChEBI] is_a: CHEBI:33767 ! cobalt group molecular entity relationship: has_part CHEBI:27638 ! cobalt atom [Term] id: CHEBI:33890 name: cobalt coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "cobalt coordination compounds" RELATED [ChEBI] synonym: "cobalt coordination entities" RELATED [ChEBI] synonym: "cobalt coordination entity" EXACT [ChEBI] is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:33888 ! cobalt molecular entity [Term] id: CHEBI:33892 name: iron coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "iron coordination compounds" RELATED [ChEBI] synonym: "iron coordination entities" RELATED [ChEBI] synonym: "iron coordination entity" EXACT [ChEBI] is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:33893 name: reagent namespace: chebi_ontology def: "A substance used in a chemical reaction to detect, measure, examine, or produce other substances." [] subset: 3_STAR synonym: "reactif" RELATED [IUPAC] synonym: "reactivo" RELATED [IUPAC] synonym: "reagent" EXACT IUPAC_NAME [IUPAC] synonym: "reagents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:33906 name: cobalt corrinoid namespace: chebi_ontology subset: 3_STAR synonym: "cobalt corrinoids" RELATED [ChEBI] synonym: "cobalt-corrinoids" RELATED [ChEBI] is_a: CHEBI:33890 ! cobalt coordination entity is_a: CHEBI:33909 ! metallotetrapyrrole is_a: CHEBI:33913 ! corrinoid [Term] id: CHEBI:33909 name: metallotetrapyrrole namespace: chebi_ontology subset: 3_STAR synonym: "metal-tetrapyrrole" RELATED [ChEBI] synonym: "metal-tetrapyrrole complex" RELATED [ChEBI] synonym: "metallotetrapyrroles" RELATED [ChEBI] is_a: CHEBI:36309 ! cyclic tetrapyrrole [Term] id: CHEBI:33913 name: corrinoid namespace: chebi_ontology alt_id: CHEBI:23391 alt_id: CHEBI:3890 def: "A derivative of the corrin nucleus, which contains four reduced or partly reduced pyrrole rings joined in a macrocycle by three =C- groups and one direct carbon-carbon bond linking alpha positions." [] subset: 3_STAR synonym: "Corrinoid" EXACT [KEGG_COMPOUND] synonym: "corrinoid" EXACT [UniProt] synonym: "Corrinoid protein" RELATED [KEGG_COMPOUND] synonym: "Corrinoid protein Co+" RELATED [KEGG_COMPOUND] synonym: "corrinoide" RELATED [IUPAC] synonym: "corrinoides" RELATED [IUPAC] synonym: "corrinoids" EXACT IUPAC_NAME [IUPAC] synonym: "Korrinoid" RELATED [ChEBI] xref: KEGG:C06021 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:36309 ! cyclic tetrapyrrole relationship: RO:0000087 CHEBI:23357 ! has role cofactor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19HN4R21" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "285.239" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "285.02012" xsd:string [Term] id: CHEBI:33916 name: aldopentose namespace: chebi_ontology def: "A pentose with a (potential) aldehyde group at one end." [] subset: 3_STAR synonym: "aldopentose" EXACT [ChEBI] synonym: "aldopentoses" RELATED [ChEBI] xref: PMID:10723607 {source="Europe PMC"} is_a: CHEBI:15693 ! aldose is_a: CHEBI:25901 ! pentose [Term] id: CHEBI:33917 name: aldohexose namespace: chebi_ontology alt_id: CHEBI:2558 def: "A hexose with a (potential) aldehyde group at one end." [] subset: 3_STAR synonym: "aldohexose" EXACT [ChEBI] synonym: "aldohexoses" RELATED [ChEBI] is_a: CHEBI:15693 ! aldose is_a: CHEBI:18133 ! hexose [Term] id: CHEBI:33937 name: macronutrient namespace: chebi_ontology def: "Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals." [] subset: 3_STAR synonym: "macronutrients" RELATED [ChEBI] is_a: CHEBI:33284 ! nutrient [Term] id: CHEBI:33942 name: ribose namespace: chebi_ontology alt_id: CHEBI:26564 def: "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." [] subset: 3_STAR synonym: "Rib" RELATED [JCBN] synonym: "ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "ribose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33916 ! aldopentose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:3424 name: carnitinium namespace: chebi_ontology def: "A quaternary ammonium ion that is the the conjugate acid of carnitine." [] subset: 3_STAR synonym: "3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "3-hydroxy-4-(trimethylammonio)butanoic acid" RELATED [ChEBI] synonym: "Carnitine" RELATED [KEGG_COMPOUND] xref: CAS:406-76-8 {source="KEGG COMPOUND"} xref: CAS:461-06-3 {source="KEGG COMPOUND"} xref: KEGG:C00487 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35267 ! quaternary ammonium ion relationship: has_functional_parent CHEBI:16080 ! gamma-amino-beta-hydroxybutyric acid relationship: is_conjugate_acid_of CHEBI:17126 ! carnitine relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H16NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHIQHXFUZVPYII-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.20688" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.11247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CC(O)CC(O)=O" xsd:string [Term] id: CHEBI:35106 name: nitrogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen hydrides" RELATED [ChEBI] is_a: CHEBI:35881 ! pnictogen hydride is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35107 name: azane namespace: chebi_ontology def: "Saturated acyclic nitrogen hydrides having the general formula NnHn+2." [] subset: 3_STAR synonym: "azanes" RELATED [ChEBI] is_a: CHEBI:35106 ! nitrogen hydride [Term] id: CHEBI:35134 name: metalloprotein namespace: chebi_ontology subset: 3_STAR synonym: "metalloprotein" EXACT [COMe] synonym: "metalloproteine" RELATED [ChEBI] synonym: "metalloproteins" RELATED [ChEBI] xref: COMe:PRX000002 is_a: CHEBI:33837 ! conjugated protein [Term] id: CHEBI:35136 name: iron protein namespace: chebi_ontology subset: 3_STAR synonym: "iron protein" EXACT [COMe] synonym: "iron proteins" RELATED [ChEBI] synonym: "iron-containing proteins" RELATED [ChEBI] xref: COMe:PRX000004 is_a: CHEBI:35134 ! metalloprotein [Term] id: CHEBI:35137 name: hemoprotein namespace: chebi_ontology def: "Conjugated proteins containing heme as the prosthetic group." [] subset: 3_STAR synonym: "haem protein" RELATED [COMe] synonym: "Haemoprotein" RELATED [ChEBI] synonym: "haemoprotein" RELATED [ChEBI] synonym: "Haemprotein" RELATED [ChEBI] synonym: "heme protein" RELATED [ChEBI] synonym: "hemeproteins" RELATED [IUBMB] synonym: "hemoprotein" EXACT [ChEBI] synonym: "hemoproteins" RELATED [ChEBI] xref: COMe:PRX000008 is_a: CHEBI:35136 ! iron protein relationship: has_part CHEBI:30413 ! heme [Term] id: CHEBI:35143 name: hemoglobin namespace: chebi_ontology subset: 3_STAR synonym: "haemoglobin" RELATED [ChEBI] synonym: "hemoglobin" EXACT [ChEBI] synonym: "vertebrate haemoglobin" RELATED [COMe] xref: COMe:PRX000321 is_a: CHEBI:5386 ! globin [Term] id: CHEBI:35147 name: (6'R)-beta,epsilon-carotene namespace: chebi_ontology subset: 3_STAR synonym: "(+)-alpha-carotene" RELATED [ChemIDplus] synonym: "(6'R)-beta,epsilon-carotene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-carotene (natural)" RELATED [ChemIDplus] xref: Beilstein:2067409 {source="Beilstein"} xref: CAS:7488-99-5 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMPR01070011 {source="LIPID MAPS"} is_a: CHEBI:28425 ! alpha-carotene relationship: is_enantiomer_of CHEBI:35148 ! (6'S)-beta,epsilon-carotene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ANVAOWXLWRTKGA-NTXLUARGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "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" xsd:string [Term] id: CHEBI:35148 name: (6'S)-beta,epsilon-carotene namespace: chebi_ontology subset: 3_STAR synonym: "(6'S)-beta,epsilon-carotene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2682045 {source="Beilstein"} is_a: CHEBI:28425 ! alpha-carotene relationship: is_enantiomer_of CHEBI:35147 ! (6'R)-beta,epsilon-carotene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ANVAOWXLWRTKGA-QTRZAOAUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "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" xsd:string [Term] id: CHEBI:35155 name: elemental calcium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22985 ! calcium molecular entity [Term] id: CHEBI:35156 name: calcium salt namespace: chebi_ontology subset: 3_STAR synonym: "calcium salts" RELATED [ChEBI] synonym: "Kalziumsalz" RELATED [ChEBI] synonym: "Kalziumsalze" RELATED [ChEBI] is_a: CHEBI:22985 ! calcium molecular entity is_a: CHEBI:36364 ! alkaline earth salt relationship: has_part CHEBI:29108 ! calcium(2+) [Term] id: CHEBI:35163 name: cyclic carotene namespace: chebi_ontology subset: 3_STAR synonym: "cyclic carotene" EXACT [ChEBI] synonym: "cyclic carotenes" RELATED [ChEBI] is_a: CHEBI:23042 ! carotene [Term] id: CHEBI:35179 name: 2-oxo monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:70795 def: "An oxo monocarboxylic acid anion in which the oxo group is located at the 2-position." [] subset: 3_STAR synonym: "2-oxo monocarboxylate" RELATED [ChEBI] synonym: "2-oxo monocarboxylic acid anions" RELATED [ChEBI] synonym: "a 2-oxocarboxylate" RELATED [UniProt] xref: MetaCyc:2-Oxo-carboxylates {source="SUBMITTER"} xref: PMID:10850983 {source="SUBMITTER"} is_a: CHEBI:35902 ! oxo monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35910 ! 2-oxo monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.98474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C([*])=O" xsd:string [Term] id: CHEBI:35186 name: terpene namespace: chebi_ontology def: "A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]." [] subset: 3_STAR synonym: "Terpen" RELATED [ChEBI] synonym: "terpene" EXACT [IUPAC] synonym: "terpenes" EXACT IUPAC_NAME [IUPAC] synonym: "terpenes" RELATED [IUPAC] synonym: "terpeno" RELATED [IUPAC] synonym: "terpenos" RELATED [IUPAC] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:24913 ! isoprenoid [Term] id: CHEBI:35190 name: diterpene namespace: chebi_ontology def: "A C20 terpene." [] subset: 3_STAR synonym: "Diterpen" RELATED [ChEBI] synonym: "diterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "diterpenes" RELATED [IUPAC] synonym: "diterpeno" RELATED [IUPAC] synonym: "diterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35191 name: triterpene namespace: chebi_ontology def: "A C30 terpene." [] subset: 3_STAR synonym: "Triterpen" RELATED [ChEBI] synonym: "triterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "triterpenes" RELATED [IUPAC] synonym: "triterpeno" RELATED [IUPAC] synonym: "triterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35193 name: tetraterpene namespace: chebi_ontology def: "A C40 terpene." [] subset: 3_STAR synonym: "tetraterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "tetraterpenes" RELATED [IUPAC] synonym: "tetraterpeno" RELATED [IUPAC] synonym: "tetraterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35195 name: surfactant namespace: chebi_ontology def: "A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces." [] subset: 3_STAR synonym: "surface active agent" RELATED [IUPAC] synonym: "surfactant" EXACT IUPAC_NAME [IUPAC] synonym: "surfactants" RELATED [ChEBI] is_a: CHEBI:63046 ! emulsifier [Term] id: CHEBI:35222 name: inhibitor namespace: chebi_ontology def: "A substance that diminishes the rate of a chemical reaction." [] subset: 3_STAR synonym: "inhibidor" RELATED [ChEBI] synonym: "inhibiteur" RELATED [ChEBI] synonym: "inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "inhibitors" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:35223 name: catalyst namespace: chebi_ontology def: "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction." [] subset: 3_STAR synonym: "catalizador" RELATED [ChEBI] synonym: "catalyseur" RELATED [ChEBI] synonym: "catalyst" EXACT IUPAC_NAME [IUPAC] synonym: "Katalysator" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:35235 name: L-cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2R)-2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteine" RELATED [UniProt] synonym: "L-cysteine zwitterion" EXACT [IUPAC] xref: Gmelin:49993 {source="Gmelin"} is_a: CHEBI:35237 ! cysteine zwitterion relationship: is_conjugate_acid_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32445 ! L-cysteinium relationship: is_enantiomer_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_tautomer_of CHEBI:17561 ! L-cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:35236 name: D-cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(2S)-2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2S)-2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-cysteine" RELATED [UniProt] synonym: "D-cysteine zwitterion" EXACT [IUPAC] xref: Gmelin:2352354 {source="Gmelin"} is_a: CHEBI:35237 ! cysteine zwitterion relationship: is_conjugate_acid_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32451 ! D-cysteinium relationship: is_enantiomer_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_tautomer_of CHEBI:16375 ! D-cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:35237 name: cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(+)H3N-CH(CH2SH)-COO(-)" RELATED [ChEBI] synonym: "2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine zwitterion" EXACT [IUPAC] xref: Gmelin:49992 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:15356 ! cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CS)C([O-])=O" xsd:string [Term] id: CHEBI:35238 name: amino acid zwitterion namespace: chebi_ontology def: "The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group." [] subset: 3_STAR synonym: "amino acid zwitterion" EXACT [ChEBI] is_a: CHEBI:27369 ! zwitterion [Term] id: CHEBI:35243 name: serine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amnio group of serine." [] subset: 3_STAR synonym: "2-ammonio-3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "serine zwitterion" EXACT [IUPAC] xref: Beilstein:3935647 {source="Beilstein"} xref: Gmelin:2060272 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:17822 ! serine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CO)C([O-])=O" xsd:string [Term] id: CHEBI:35247 name: D-serine zwitterion namespace: chebi_ontology def: "A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of D-serine." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-serine" RELATED [UniProt] synonym: "D-serine zwitterion" EXACT [IUPAC] xref: MetaCyc:D-SERINE is_a: CHEBI:35243 ! serine zwitterion relationship: is_enantiomer_of CHEBI:33384 ! L-serine zwitterion relationship: is_tautomer_of CHEBI:16523 ! D-serine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CO)C([O-])=O" xsd:string [Term] id: CHEBI:35267 name: quaternary ammonium ion namespace: chebi_ontology alt_id: CHEBI:26470 alt_id: CHEBI:8693 def: "A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups." [] subset: 3_STAR synonym: "a quaternary ammonium" RELATED [UniProt] synonym: "Quaternary amine" RELATED [KEGG_COMPOUND] synonym: "quaternary ammonium ion" EXACT IUPAC_NAME [IUPAC] synonym: "quaternary ammonium ions" RELATED [ChEBI] xref: KEGG:C06703 is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.00670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*][N+]([*])([*])[*]" xsd:string [Term] id: CHEBI:35274 name: ammonium ion derivative namespace: chebi_ontology def: "A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc)." [] subset: 3_STAR synonym: "ammonium ion derivatives" RELATED [ChEBI] synonym: "azanium ion derivative" RELATED [ChEBI] synonym: "azanium ion derivatives" RELATED [ChEBI] is_a: CHEBI:33702 ! polyatomic cation is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_parent_hydride CHEBI:28938 ! ammonium [Term] id: CHEBI:35281 name: onium betaine namespace: chebi_ontology def: "Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "betaines" EXACT IUPAC_NAME [IUPAC] synonym: "onium betaines" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion [Term] id: CHEBI:35282 name: sulfonium betaine namespace: chebi_ontology def: "Neutral molecules having charge-separated forms with an sulfonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "sulfonium betaines" RELATED [ChEBI] is_a: CHEBI:26830 ! sulfonium compound is_a: CHEBI:35281 ! onium betaine [Term] id: CHEBI:35284 name: ammonium betaine namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "ammonium betaines" RELATED [ChEBI] is_a: CHEBI:26469 ! quaternary nitrogen compound is_a: CHEBI:35281 ! onium betaine [Term] id: CHEBI:35293 name: fused compound namespace: chebi_ontology subset: 3_STAR synonym: "fused compounds" RELATED [ChEBI] synonym: "fused polycyclic compounds" RELATED [ChEBI] synonym: "fused-ring polycyclic compound" RELATED [ChEBI] synonym: "fused-ring polycyclic compounds" RELATED [ChEBI] synonym: "polycyclic fused-ring compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35294 name: carbopolycyclic compound namespace: chebi_ontology def: "A polyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbopolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:35295 ! homopolycyclic compound [Term] id: CHEBI:35295 name: homopolycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "homopolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35296 name: ortho-fused polycyclic arene namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused polycyclic arenes" RELATED [ChEBI] is_a: CHEBI:33848 ! polycyclic arene is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon [Term] id: CHEBI:35297 name: acene namespace: chebi_ontology def: "A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement." [] subset: 3_STAR synonym: "Acen" RELATED [ChEBI] synonym: "acene" EXACT [IUPAC] synonym: "acenes" EXACT IUPAC_NAME [IUPAC] synonym: "Azen" RELATED [ChEBI] synonym: "polyacenes" RELATED [ChEBI] xref: Wikipedia:Acene is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:51269 ! acenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8.(C4H2)n" xsd:string [Term] id: CHEBI:35337 name: central nervous system stimulant namespace: chebi_ontology def: "Any drug that enhances the activity of the central nervous system." [] subset: 3_STAR synonym: "analeptic" RELATED [ChEBI] synonym: "analeptic agent" RELATED [ChEBI] synonym: "analeptic drug" RELATED [ChEBI] synonym: "analeptics" RELATED [ChEBI] synonym: "central nervous system stimulant" EXACT [ChEBI] synonym: "central stimulant" RELATED [ChEBI] synonym: "CNS stimulant" RELATED [ChEBI] xref: Wikipedia:Central_nervous_system_stimulants is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35338 name: amphetamines namespace: chebi_ontology def: "Amines that constitute a class of central nervous system stimulants based on the structure of the parent amphetamine 1-phenylpropan-2-amine." [] subset: 3_STAR synonym: "amphetamine drug" RELATED [ChEBI] is_a: CHEBI:32952 ! amine relationship: RO:0000087 CHEBI:35337 ! has role central nervous system stimulant [Term] id: CHEBI:35341 name: steroid namespace: chebi_ontology alt_id: CHEBI:13687 alt_id: CHEBI:26768 alt_id: CHEBI:9263 def: "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 which is a triterpene." [] subset: 3_STAR synonym: "a steroid" RELATED [UniProt] synonym: "Steroid" EXACT [KEGG_COMPOUND] synonym: "steroids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00377 xref: MetaCyc:Steroids is_a: CHEBI:18059 ! lipid is_a: CHEBI:51958 ! organic polycyclic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "259.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "259.24258" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C" xsd:string [Term] id: CHEBI:35348 name: 3beta-sterol namespace: chebi_ontology alt_id: CHEBI:13609 alt_id: CHEBI:1725 alt_id: CHEBI:1726 alt_id: CHEBI:20248 def: "A sterol in which the hydroxy group at position 3 has beta- configuration." [] subset: 3_STAR synonym: "3beta-hydroxysteroids" RELATED [ChEBI] synonym: "3beta-sterols" RELATED [ChEBI] is_a: CHEBI:15889 ! sterol is_a: CHEBI:36836 ! 3beta-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C" xsd:string [Term] id: CHEBI:35350 name: hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:24748 alt_id: CHEBI:5814 subset: 3_STAR synonym: "hydroxy steroids" RELATED [ChEBI] synonym: "Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "hydroxysteroids" RELATED [ChEBI] xref: KEGG:C02159 is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:35352 name: organonitrogen compound namespace: chebi_ontology def: "Any heteroorganic entity containing at least one carbon-nitrogen bond." [] subset: 3_STAR synonym: "organonitrogen compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organonitrogens" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35358 name: sulfonamide namespace: chebi_ontology def: "An amide of a sulfonic acid RS(=O)2NR'2." [] subset: 3_STAR synonym: "sulfonamides" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonamides" RELATED [ChEBI] xref: PMID:11498380 {source="Europe PMC"} xref: PMID:2434548 {source="Europe PMC"} xref: PMID:26811268 {source="Europe PMC"} xref: PMID:26832216 {source="Europe PMC"} xref: Wikipedia:Sulfonamide is_a: CHEBI:33256 ! primary amide is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33552 ! sulfonic acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2SR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.07100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.96497" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]S(=O)(=O)N([*])[*]" xsd:string [Term] id: CHEBI:35366 name: fatty acid namespace: chebi_ontology alt_id: CHEBI:13633 alt_id: CHEBI:24024 alt_id: CHEBI:4984 def: "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids." [] subset: 3_STAR synonym: "acide gras" RELATED [ChEBI] synonym: "acides gras" RELATED [ChemIDplus] synonym: "acido graso" RELATED [ChEBI] synonym: "acidos grasos" RELATED [ChEBI] synonym: "Fatty acid" EXACT [KEGG_COMPOUND] synonym: "fatty acids" EXACT IUPAC_NAME [IUPAC] synonym: "fatty acids" RELATED [ChEBI] synonym: "Fettsaeure" RELATED [ChEBI] synonym: "Fettsaeuren" RELATED [ChEBI] xref: KEGG:C00162 xref: PMID:14287444 {source="Europe PMC"} xref: PMID:14300208 {source="Europe PMC"} xref: PMID:14328676 {source="Europe PMC"} xref: Wikipedia:Fatty_acid is_a: CHEBI:18059 ! lipid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:28868 ! fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:35381 name: monosaccharide namespace: chebi_ontology alt_id: CHEBI:25407 alt_id: CHEBI:6984 def: "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." [] subset: 3_STAR synonym: "monosacarido" RELATED [ChEBI] synonym: "monosacaridos" RELATED [IUPAC] synonym: "Monosaccharid" RELATED [ChEBI] synonym: "Monosaccharide" EXACT [KEGG_COMPOUND] synonym: "monosaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Monosacharid" RELATED [ChEBI] xref: KEGG:C06698 is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:35406 name: oxoanion namespace: chebi_ontology alt_id: CHEBI:33274 alt_id: CHEBI:33436 def: "An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen." [] subset: 3_STAR synonym: "oxoacid anions" RELATED [ChEBI] synonym: "oxoanion" EXACT [ChEBI] synonym: "oxoanions" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide is_a: CHEBI:33273 ! polyatomic anion [Term] id: CHEBI:35427 name: ortho-fused polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused polycyclic hydrocarbon" EXACT [ChEBI] synonym: "ortho-fused polycyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33637 ! ortho-fused compound [Term] id: CHEBI:35441 name: antiinfective agent namespace: chebi_ontology def: "A substance used in the prophylaxis or therapy of infectious diseases." [] subset: 3_STAR synonym: "anti-infective agents" RELATED [ChEBI] synonym: "anti-infective drugs" RELATED [ChEBI] synonym: "antiinfective agents" RELATED [ChEBI] synonym: "antiinfective drug" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35442 name: antiparasitic agent namespace: chebi_ontology def: "A substance used to treat or prevent parasitic infections." [] subset: 3_STAR synonym: "antiparasitic drugs" RELATED [ChEBI] synonym: "antiparasitics" RELATED [ChEBI] synonym: "parasiticides" RELATED [ChEBI] xref: Wikipedia:Antiparasitic is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:35457 name: EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor namespace: chebi_ontology def: "An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1)." [] subset: 3_STAR synonym: "ACE inhibitor" RELATED [ChEBI] synonym: "ACE inhibitors" RELATED [ChEBI] synonym: "angiotensin I-converting enzyme inhibitor" RELATED [ChEBI] synonym: "angiotensin I-converting enzyme inhibitors" RELATED [ChEBI] synonym: "angiotensin-converting enzyme inhibitor" RELATED [ChEBI] synonym: "angiotensin-converting enzyme inhibitors" RELATED [ChEBI] synonym: "carboxycathepsin inhibitor" RELATED [ChEBI] synonym: "carboxycathepsin inhibitors" RELATED [ChEBI] synonym: "DCP inhibitor" RELATED [ChEBI] synonym: "DCP inhibitors" RELATED [ChEBI] synonym: "dipeptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidase inhibitors" RELATED [ChEBI] synonym: "dipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase I inhibitor" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase I inhibitors" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.15.1 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.15.1 inhibitors" RELATED [ChEBI] synonym: "endothelial cell peptidyl dipeptidase inhibitor" RELATED [ChEBI] synonym: "endothelial cell peptidyl dipeptidase inhibitors" RELATED [ChEBI] synonym: "kininase II inhibitor" RELATED [ChEBI] synonym: "kininase II inhibitors" RELATED [ChEBI] synonym: "PDH inhibitor" RELATED [ChEBI] synonym: "PDH inhibitors" RELATED [ChEBI] synonym: "peptidase P inhibitor" RELATED [ChEBI] synonym: "peptidase P inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptidase A inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptidase A inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptidase I inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptidase I inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptidase-4 inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptidase-4 inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A (EC 3.4.15.1) inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A (EC 3.4.15.1) inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "peptidyldipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "peptidyldipeptide hydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:ACE_inhibitor is_a: CHEBI:35674 ! antihypertensive agent is_a: CHEBI:76782 ! EC 3.4.15.* (peptidyl-dipeptidase) inhibitor [Term] id: CHEBI:35469 name: antidepressant namespace: chebi_ontology def: "Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions." [] subset: 3_STAR synonym: "antidepressant drugs" RELATED [ChEBI] synonym: "antidepressants" RELATED [ChEBI] synonym: "thymoanaleptics" RELATED [ChEBI] synonym: "thymoleptic drugs" RELATED [ChEBI] synonym: "thymoleptics" RELATED [ChEBI] is_a: CHEBI:35471 ! psychotropic drug [Term] id: CHEBI:35470 name: central nervous system drug namespace: chebi_ontology def: "A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system." [] subset: 3_STAR synonym: "central nervous system agents" RELATED [ChEBI] synonym: "CNS agent" RELATED [ChEBI] synonym: "CNS drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35471 name: psychotropic drug namespace: chebi_ontology def: "A loosely defined grouping of drugs that have effects on psychological function." [] subset: 3_STAR synonym: "psychoactive agent" RELATED [ChEBI] synonym: "psychoactive drugs" RELATED [ChEBI] synonym: "psychopharmaceuticals" RELATED [ChEBI] synonym: "psychotropic drugs" RELATED [ChEBI] xref: Wikipedia:Psychotropic_drug is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35472 name: anti-inflammatory drug namespace: chebi_ontology def: "A substance that reduces or suppresses inflammation." [] subset: 3_STAR synonym: "anti-inflammatory drugs" RELATED [ChEBI] synonym: "antiinflammatory agent" RELATED [ChEBI] synonym: "antiinflammatory drug" RELATED [ChEBI] synonym: "antiinflammatory drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:67079 ! anti-inflammatory agent [Term] id: CHEBI:35473 name: tranquilizing drug namespace: chebi_ontology def: "A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour." [] subset: 3_STAR synonym: "ataractics" RELATED [ChEBI] synonym: "tranquilising drug" RELATED [ChEBI] synonym: "tranquilizing drugs" RELATED [ChEBI] synonym: "tranquillising agent" RELATED [ChEBI] synonym: "tranquillizing agents" RELATED [ChEBI] is_a: CHEBI:35471 ! psychotropic drug is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35474 name: anxiolytic drug namespace: chebi_ontology def: "Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions." [] subset: 3_STAR synonym: "anti-anxiety agents" RELATED [ChEBI] synonym: "anti-anxiety drugs" RELATED [ChEBI] synonym: "anxiolytic agents" RELATED [ChEBI] synonym: "anxiolytics" RELATED [ChEBI] synonym: "minor tranquilisers" RELATED [ChEBI] synonym: "minor tranquilizers" RELATED [ChEBI] synonym: "minor tranquilizing agents" RELATED [ChEBI] is_a: CHEBI:35473 ! tranquilizing drug [Term] id: CHEBI:35475 name: non-steroidal anti-inflammatory drug namespace: chebi_ontology def: "An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins." [] subset: 3_STAR synonym: "non-steroidal anti-inflammatory agent" RELATED [ChEBI] synonym: "non-steroidal anti-inflammatory drugs" RELATED [ChEBI] synonym: "NSAID" RELATED [ChEBI] synonym: "NSAIDs" RELATED [ChEBI] xref: Wikipedia:Non-steroidal_anti-inflammatory_drug is_a: CHEBI:35472 ! anti-inflammatory drug is_a: CHEBI:35842 ! antirheumatic drug [Term] id: CHEBI:35476 name: antipsychotic agent namespace: chebi_ontology def: "Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect." [] subset: 3_STAR synonym: "antipsychotic agents" RELATED [ChEBI] synonym: "antipsychotic drug" RELATED [ChEBI] synonym: "antipsychotic drugs" RELATED [ChEBI] synonym: "antipsychotics" RELATED [ChEBI] synonym: "antipsychotiques" RELATED [ChEBI] synonym: "grosser Tranquilizer" RELATED [ChEBI] synonym: "major tranquilizers" RELATED [ChEBI] synonym: "major tranquilizing agents" RELATED [ChEBI] synonym: "neuroleptic" RELATED [ChEBI] synonym: "neuroleptic agents" RELATED [ChEBI] synonym: "neuroleptics" RELATED [ChEBI] synonym: "Neuroleptikum" RELATED [ChEBI] synonym: "neuroleptique" RELATED [ChEBI] synonym: "neuroleptiques" RELATED [ChEBI] is_a: CHEBI:35473 ! tranquilizing drug [Term] id: CHEBI:35477 name: antimanic drug namespace: chebi_ontology def: "Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders." [] subset: 3_STAR synonym: "antimanic agent" RELATED [ChEBI] synonym: "antimanic drugs" RELATED [ChEBI] synonym: "antimanics" RELATED [ChEBI] is_a: CHEBI:35473 ! tranquilizing drug [Term] id: CHEBI:35479 name: alkali metal salt namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:33296 ! alkali metal molecular entity [Term] id: CHEBI:35480 name: analgesic namespace: chebi_ontology def: "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." [] subset: 3_STAR is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:35481 name: non-narcotic analgesic namespace: chebi_ontology def: "A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors." [] subset: 3_STAR is_a: CHEBI:35480 ! analgesic [Term] id: CHEBI:35482 name: opioid analgesic namespace: chebi_ontology def: "A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood." [] subset: 3_STAR synonym: "narcotic" RELATED [ChEBI] synonym: "narcotic analgesic" RELATED [ChEBI] synonym: "narcotic analgesics" RELATED [ChEBI] synonym: "narcotics" RELATED [ChEBI] synonym: "opioid analgesics" RELATED [ChEBI] is_a: CHEBI:35480 ! analgesic [Term] id: CHEBI:35488 name: central nervous system depressant namespace: chebi_ontology def: "A loosely defined group of drugs that tend to reduce the activity of the central nervous system." [] subset: 3_STAR synonym: "central nervous system depressants" RELATED [ChEBI] synonym: "CNS depressants" RELATED [ChEBI] is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35497 name: androgen antagonist namespace: chebi_ontology def: "A compound which inhibits or antagonises the biosynthesis or actions of androgens." [] subset: 3_STAR synonym: "antiandrogen" RELATED [ChEBI] xref: Wikipedia:Antiandrogen is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:35498 name: diuretic namespace: chebi_ontology def: "An agent that promotes the excretion of urine through its effects on kidney function." [] subset: 3_STAR synonym: "diuretics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35507 name: natural product fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "natural product fundamental parents" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:35508 name: steroid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "steroid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:35507 ! natural product fundamental parent [Term] id: CHEBI:35516 name: cholestane namespace: chebi_ontology subset: 3_STAR synonym: "cholestane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5334741 {source="Beilstein"} xref: CAS:14982-53-7 {source="NIST Chemistry WebBook"} xref: CAS:14982-53-7 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMST01010000 {source="LIPID MAPS"} xref: Wikipedia:Cholestane is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H48" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XIIAYQZJNBULGD-LDHZKLTISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.67002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.37560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[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" xsd:string [Term] id: CHEBI:35519 name: cholane namespace: chebi_ontology subset: 3_STAR synonym: "cholane" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H42" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSHQKIURKJITMZ-BRPMRXRMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.59028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.32865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC" xsd:string [Term] id: CHEBI:35522 name: beta-adrenergic agonist namespace: chebi_ontology def: "An agent that selectively binds to and activates beta-adrenergic receptors." [] subset: 3_STAR synonym: "beta-adrenergic agonists" RELATED [ChEBI] synonym: "beta-adrenergic receptor agonist" RELATED [ChEBI] synonym: "beta-adrenoceptor agonists" RELATED [IUPHAR] is_a: CHEBI:37886 ! adrenergic agonist is_a: CHEBI:48540 ! beta-adrenergic drug [Term] id: CHEBI:35523 name: bronchodilator agent namespace: chebi_ontology def: "An agent that causes an increase in the expansion of a bronchus or bronchial tubes." [] subset: 3_STAR synonym: "bronchodilator" RELATED [ChEBI] synonym: "bronchodilator agents" RELATED [ChEBI] synonym: "broncholytic agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35526 name: hypoglycemic agent namespace: chebi_ontology def: "A drug which lowers the blood glucose level." [] subset: 3_STAR synonym: "antidiabetic" RELATED [ChEBI] synonym: "antihyperglycemic" RELATED [ChEBI] synonym: "antihyperglycemic agent" RELATED [ChEBI] synonym: "antihyperglycemic agents" RELATED [ChEBI] synonym: "antihyperglycemic drug" RELATED [ChEBI] synonym: "antihyperglycemic drugs" RELATED [ChEBI] synonym: "antihyperglycemics" RELATED [ChEBI] synonym: "hypoglycemic agents" RELATED [ChEBI] synonym: "hypoglycemic drug" RELATED [ChEBI] synonym: "hypoglycemic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35530 name: beta-adrenergic antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety." [] subset: 3_STAR synonym: "beta-adrenergic antagonists" RELATED [ChEBI] synonym: "beta-adrenergic blocker" RELATED [ChEBI] synonym: "beta-adrenergic blockers" RELATED [ChEBI] synonym: "beta-adrenergic receptor blockaders" RELATED [ChEBI] synonym: "beta-adrenoceptor antagonists" RELATED [IUPHAR] synonym: "beta-blocker" RELATED [ChEBI] synonym: "beta-blockers" RELATED [ChEBI] is_a: CHEBI:37887 ! adrenergic antagonist is_a: CHEBI:48540 ! beta-adrenergic drug [Term] id: CHEBI:35552 name: heterocyclic organic fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic fundamental parent" RELATED [ChEBI] synonym: "heterocyclic organic fundamental parents" RELATED [ChEBI] synonym: "heterocyclic parent hydrides" EXACT IUPAC_NAME [IUPAC] synonym: "organic heterocyclic fundamental parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:35554 name: cardiovascular drug namespace: chebi_ontology def: "A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume." [] subset: 3_STAR synonym: "cardiovascular agent" RELATED [ChEBI] synonym: "cardiovascular drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35568 name: mancude ring namespace: chebi_ontology def: "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." [] subset: 3_STAR synonym: "mancude rings" RELATED [ChEBI] synonym: "mancude-ring systems" EXACT IUPAC_NAME [IUPAC] synonym: "mancunide-ring systems" RELATED [IUPAC] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:35569 name: alpha-adrenergic agonist namespace: chebi_ontology def: "An agent that selectively binds to and activates alpha-adrenergic receptors." [] subset: 3_STAR synonym: "alpha-adrenergic agonists" RELATED [ChEBI] synonym: "alpha-adrenergic receptor agonist" RELATED [ChEBI] synonym: "alpha-adrenoceptor agonists" RELATED [IUPHAR] is_a: CHEBI:37886 ! adrenergic agonist is_a: CHEBI:48539 ! alpha-adrenergic drug [Term] id: CHEBI:35570 name: mancude organic heterobicyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterobicyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterobicyclic parents" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:35571 name: mancude organic heterocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterocyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterocyclic parents" RELATED [ChEBI] is_a: CHEBI:35552 ! heterocyclic organic fundamental parent is_a: CHEBI:35573 ! organic mancude parent [Term] id: CHEBI:35573 name: organic mancude parent namespace: chebi_ontology subset: 3_STAR synonym: "organic mancude parents" RELATED [ChEBI] synonym: "organic mancude-ring parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent is_a: CHEBI:35568 ! mancude ring [Term] id: CHEBI:35580 name: N-oxide namespace: chebi_ontology subset: 3_STAR synonym: "N-oxide" EXACT [ChEBI] synonym: "N-oxides" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide [Term] id: CHEBI:35584 name: purine namespace: chebi_ontology def: "A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines." [] subset: 3_STAR synonym: "purine" EXACT IUPAC_NAME [IUPAC] xref: HMDB:HMDB0001366 xref: KEGG:C15587 xref: MetaCyc:PURINE xref: PMID:12865945 {source="Europe PMC"} xref: PMID:24088627 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26401 ! purines is_a: CHEBI:35570 ! mancude organic heterobicyclic parent relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string [Term] id: CHEBI:35604 name: carbon oxoanion namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "carbon oxoanion" EXACT [ChEBI] synonym: "carbon oxoanions" RELATED [ChEBI] synonym: "oxocarbon anion" RELATED [ChEBI] synonym: "oxocarbon anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:35605 name: carbon oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "carbon oxoacids" RELATED [ChEBI] synonym: "oxoacids of carbon" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:35610 name: antineoplastic agent namespace: chebi_ontology def: "A substance that inhibits or prevents the proliferation of neoplasms." [] subset: 3_STAR synonym: "anticancer agent" RELATED [ChEBI] synonym: "anticancer agents" RELATED [ChEBI] synonym: "antineoplastic" RELATED [ChEBI] synonym: "antineoplastic agents" RELATED [ChEBI] synonym: "cytostatic" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35617 name: flavouring agent namespace: chebi_ontology def: "A food additive that is used to added improve the taste or odour of a food." [] subset: 3_STAR synonym: "flavoring agent" RELATED [ChEBI] synonym: "flavoring agents" RELATED [ChEBI] synonym: "flavour enhancer" RELATED [ChEBI] synonym: "flavour enhancers" RELATED [ChEBI] synonym: "flavouring agents" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:35620 name: vasodilator agent namespace: chebi_ontology def: "A drug used to cause dilation of the blood vessels." [] subset: 3_STAR synonym: "vasodilator" RELATED [ChEBI] synonym: "vasodilator agents" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:35623 name: anticonvulsant namespace: chebi_ontology def: "A drug used to prevent seizures or reduce their severity." [] subset: 3_STAR synonym: "anti-convulsant" RELATED [ChEBI] synonym: "anti-convulsants" RELATED [ChEBI] synonym: "anti-convulsive agent" RELATED [ChEBI] synonym: "anti-convulsive agents" RELATED [ChEBI] synonym: "anticonvulsants" RELATED [ChEBI] synonym: "anticonvulsive agent" RELATED [ChEBI] synonym: "anticonvulsive agents" RELATED [ChEBI] synonym: "antiepileptic" RELATED [ChEBI] synonym: "antiepileptics" RELATED [ChEBI] synonym: "Antiepileptika" RELATED [ChEBI] synonym: "Antiepileptikum" RELATED [ChEBI] synonym: "antiepileptique" RELATED [ChEBI] synonym: "antiepileptiques" RELATED [ChEBI] synonym: "Antikonvulsiva" RELATED [ChEBI] synonym: "Antikonvulsivum" RELATED [ChEBI] is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35627 name: beta-lactam namespace: chebi_ontology alt_id: CHEBI:10426 alt_id: CHEBI:13203 alt_id: CHEBI:22845 def: "A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon." [] subset: 3_STAR synonym: "a beta-lactam" RELATED [UniProt] synonym: "beta-Lactam" EXACT [KEGG_COMPOUND] synonym: "beta-lactams" RELATED [ChEBI] xref: KEGG:C01866 xref: Wikipedia:Beta-lactam is_a: CHEBI:24995 ! lactam property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.054" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(N(*)C1*)=O)*" xsd:string [Term] id: CHEBI:35634 name: EC 1.17.3.2 (xanthine oxidase) inhibitor namespace: chebi_ontology def: "An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2)." [] subset: 3_STAR synonym: "EC 1.17.3.2 (xanthine oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.3.2 inhibitor" RELATED [ChEBI] synonym: "EC 1.17.3.2 inhibitors" RELATED [ChEBI] synonym: "hypoxanthine oxidase inhibitor" RELATED [ChEBI] synonym: "hypoxanthine oxidase inhibitors" RELATED [ChEBI] synonym: "hypoxanthine-xanthine oxidase inhibitor" RELATED [ChEBI] synonym: "hypoxanthine-xanthine oxidase inhibitors" RELATED [ChEBI] synonym: "hypoxanthine:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "hypoxanthine:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "Schardinger enzyme inhibitor" RELATED [ChEBI] synonym: "Schardinger enzyme inhibitors" RELATED [ChEBI] synonym: "xanthine oxidase (EC 1.17.3.2) inhibitor" RELATED [ChEBI] synonym: "xanthine oxidase (EC 1.17.3.2) inhibitors" RELATED [ChEBI] synonym: "xanthine oxidase inhibitor" RELATED [ChEBI] synonym: "xanthine oxidase inhibitors" RELATED [ChEBI] synonym: "xanthine oxidoreductase inhibitor" RELATED [ChEBI] synonym: "xanthine oxidoreductase inhibitors" RELATED [ChEBI] synonym: "xanthine:O2 oxidoreductase inhibitor" RELATED [ChEBI] synonym: "xanthine:O2 oxidoreductase inhibitors" RELATED [ChEBI] synonym: "xanthine:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "xanthine:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "xanthine:xanthine oxidase inhibitor" RELATED [ChEBI] synonym: "xanthine:xanthine oxidase inhibitors" RELATED [ChEBI] is_a: CHEBI:76850 ! EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor [Term] id: CHEBI:35660 name: HIV protease inhibitor namespace: chebi_ontology def: "An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly." [] subset: 3_STAR synonym: "HIV protease inhibitors" RELATED [ChEBI] xref: Wikipedia:Protease_inhibitor_(pharmacology) is_a: CHEBI:37670 ! protease inhibitor is_a: CHEBI:64946 ! anti-HIV agent [Term] id: CHEBI:35664 name: EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor namespace: chebi_ontology def: "Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme." [] subset: 3_STAR synonym: "HMG-CoA reductase inhibitor" RELATED [ChEBI] synonym: "HMG-CoA reductase inhibitors" RELATED [ChEBI] synonym: "hydroxymethylglutaryl-CoA reductase inhibitor" RELATED [ChEBI] synonym: "hydroxymethylglutaryl-CoA reductase inhibitors" RELATED [ChEBI] xref: PMID:1464741 {source="Europe PMC"} xref: PMID:15531285 {source="Europe PMC"} xref: PMID:20467214 {source="Europe PMC"} xref: Wikipedia:HMG-CoA_reductase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:35674 name: antihypertensive agent namespace: chebi_ontology def: "Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism." [] subset: 3_STAR synonym: "antihypertensive" RELATED [ChEBI] synonym: "antihypertensive agents" RELATED [ChEBI] synonym: "antihypertensive drug" RELATED [ChEBI] synonym: "antihypertensive drugs" RELATED [ChEBI] xref: Wikipedia:Antihypertensive_drug is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:35679 name: antilipemic drug namespace: chebi_ontology def: "A substance used to treat hyperlipidemia (an excess of lipids in the blood)." [] subset: 3_STAR synonym: "antihyperlipemic" RELATED [ChEBI] synonym: "antihyperlipemics" RELATED [ChEBI] synonym: "antihyperlipidaemic agent" RELATED [ChEBI] synonym: "antihyperlipidaemic agents" RELATED [ChEBI] synonym: "antihyperlipidaemic drug" RELATED [ChEBI] synonym: "antihyperlipidaemic drugs" RELATED [ChEBI] synonym: "antihyperlipidemic" RELATED [ChEBI] synonym: "antihyperlipidemic agent" RELATED [ChEBI] synonym: "antihyperlipidemic agents" RELATED [ChEBI] synonym: "antihyperlipidemic drug" RELATED [ChEBI] synonym: "antihyperlipidemic drugs" RELATED [ChEBI] synonym: "antihyperlipidemics" RELATED [ChEBI] synonym: "antilipemic" RELATED [ChEBI] synonym: "antilipemic drugs" RELATED [ChEBI] synonym: "antilipemics" RELATED [ChEBI] synonym: "hypolipidemic agent" RELATED [ChEBI] synonym: "hypolipidemic agents" RELATED [ChEBI] synonym: "lipid-lowering agent" RELATED [ChEBI] synonym: "lipid-lowering agents" RELATED [ChEBI] synonym: "lipid-lowering drug" RELATED [ChEBI] synonym: "lipid-lowering drugs" RELATED [ChEBI] xref: Wikipedia:Hypolipidemic_agent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35681 name: secondary alcohol namespace: chebi_ontology alt_id: CHEBI:13425 alt_id: CHEBI:13686 alt_id: CHEBI:26617 alt_id: CHEBI:58662 alt_id: CHEBI:8741 alt_id: CHEBI:9077 def: "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." [] subset: 3_STAR synonym: "a secondary alcohol" RELATED [UniProt] synonym: "R-CHOH-R'" RELATED [KEGG_COMPOUND] synonym: "Secondary alcohol" EXACT [KEGG_COMPOUND] synonym: "secondary alcohols" RELATED [ChEBI] xref: KEGG:C00432 xref: KEGG:C01612 is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.026" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(*)O" xsd:string [Term] id: CHEBI:35692 name: dicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:23692 alt_id: CHEBI:36172 alt_id: CHEBI:4501 def: "Any carboxylic acid containing two carboxy groups." [] subset: 3_STAR synonym: "Dicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "dicarboxylic acids" RELATED [ChEBI] xref: KEGG:C02028 is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:35693 name: dicarboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "dicarboxylic acid anion" EXACT [ChEBI] synonym: "dicarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:35695 name: dicarboxylic acid monoanion namespace: chebi_ontology def: "Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid." [] subset: 3_STAR synonym: "dicarboxylic acid monoanions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:35701 name: ester namespace: chebi_ontology alt_id: CHEBI:23960 alt_id: CHEBI:4859 def: "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." [] subset: 3_STAR synonym: "Ester" EXACT [KEGG_COMPOUND] synonym: "esters" RELATED [ChEBI] xref: KEGG:C00287 xref: Wikipedia:Ester is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:35705 name: immunosuppressive agent namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "immunosuppressant" RELATED [ChEBI] synonym: "immunosuppressive agents" RELATED [ChEBI] synonym: "inmunosupresor" RELATED [ChEBI] is_a: CHEBI:50846 ! immunomodulator [Term] id: CHEBI:35717 name: sedative namespace: chebi_ontology def: "A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety." [] subset: 3_STAR synonym: "hypnotics" RELATED [ChEBI] synonym: "hypnotics and sedatives" RELATED [ChEBI] synonym: "sedative drug" RELATED [ChEBI] synonym: "sedatives" RELATED [ChEBI] synonym: "sedatives and hypnotics" RELATED [ChEBI] is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35718 name: antifungal agent namespace: chebi_ontology def: "An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce." [] subset: 3_STAR synonym: "antifungal" RELATED [ChEBI] synonym: "antifungal agents" RELATED [ChEBI] synonym: "antifungal drug" RELATED [ChEBI] synonym: "antifungal drugs" RELATED [ChEBI] synonym: "antifungals" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:35722 name: sulfated glycosaminoglycan namespace: chebi_ontology subset: 3_STAR synonym: "glycosaminoglycan sulfate" RELATED [ChEBI] synonym: "glycosaminoglycan sulfates" RELATED [ChEBI] synonym: "sulfated glycosaminoglycans" RELATED [ChEBI] is_a: CHEBI:18085 ! glycosaminoglycan is_a: CHEBI:35724 ! carbohydrate sulfate [Term] id: CHEBI:35724 name: carbohydrate sulfate namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate sulfates" RELATED [ChEBI] synonym: "carbohydrate sulphates" RELATED [ChEBI] is_a: CHEBI:25704 ! organic sulfate is_a: CHEBI:26819 ! sulfuric ester is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:35741 name: glycerolipid namespace: chebi_ontology def: "Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached." [] subset: 3_STAR synonym: "glycerolipids" RELATED [ChEBI] xref: PMID:18606873 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid relationship: has_functional_parent CHEBI:17754 ! glycerol [Term] id: CHEBI:35757 name: monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:13657 alt_id: CHEBI:25382 alt_id: CHEBI:3407 def: "A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated." [] subset: 3_STAR synonym: "a monocarboxylate" RELATED [UniProt] synonym: "Carboxylate" RELATED [KEGG_COMPOUND] synonym: "Monocarboxylate" RELATED [KEGG_COMPOUND] synonym: "monocarboxylates" RELATED [ChEBI] synonym: "monocarboxylic acid anions" RELATED [ChEBI] xref: KEGG:C00060 is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:25384 ! monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:35780 name: phosphate ion namespace: chebi_ontology def: "A phosphorus oxoanion that is the conjugate base of phosphoric acid." [] subset: 3_STAR synonym: "phosphate" RELATED [ChEBI] synonym: "phosphate ions" RELATED [ChEBI] synonym: "Pi" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33461 ! phosphorus oxoanion relationship: is_conjugate_base_of CHEBI:26078 ! phosphoric acid relationship: RO:0000087 CHEBI:77746 ! has role human metabolite [Term] id: CHEBI:35788 name: seco-steroid namespace: chebi_ontology subset: 3_STAR synonym: "seco-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:35816 name: leprostatic drug namespace: chebi_ontology def: "A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions." [] subset: 3_STAR synonym: "leprostatic" RELATED [ChEBI] synonym: "leprostatic agent" RELATED [ChEBI] synonym: "leprostatic drugs" RELATED [ChEBI] is_a: CHEBI:64912 ! antimycobacterial drug [Term] id: CHEBI:35819 name: branched-chain fatty acid namespace: chebi_ontology alt_id: CHEBI:22919 alt_id: CHEBI:3166 def: "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." [] subset: 3_STAR synonym: "BCFA" RELATED [ChEBI] synonym: "BCFAs" RELATED [ChEBI] synonym: "Branched chain fatty acid" RELATED [KEGG_COMPOUND] synonym: "branched fatty acid" RELATED [ChEBI] synonym: "branched fatty acids" RELATED [ChEBI] synonym: "branched-chain fatty acids" RELATED [ChEBI] xref: KEGG:C05996 xref: PMID:18318842 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58955 ! branched-chain fatty acid anion [Term] id: CHEBI:35820 name: antiprotozoal drug namespace: chebi_ontology def: "Any antimicrobial drug which is used to treat or prevent protozoal infections." [] subset: 3_STAR synonym: "antiprotozoal agent" RELATED [ChEBI] synonym: "antiprotozoal agents" RELATED [ChEBI] synonym: "antiprotozoal drugs" RELATED [ChEBI] xref: Wikipedia:Antiprotozoal_agent is_a: CHEBI:35442 ! antiparasitic agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:35821 name: anticholesteremic drug namespace: chebi_ontology alt_id: CHEBI:64906 def: "A substance used to lower plasma cholesterol levels." [] subset: 3_STAR synonym: "anticholesteremic" RELATED [ChEBI] synonym: "anticholesteremic agent" RELATED [ChEBI] synonym: "anticholesteremic drugs" RELATED [ChEBI] synonym: "antihypercholesterolemic" RELATED [ChEBI] synonym: "antihypercholesterolemic agent" RELATED [ChEBI] synonym: "antihypercholesterolemic agents" RELATED [ChEBI] synonym: "antihypercholesterolemic drug" RELATED [ChEBI] synonym: "antihypercholesterolemic drugs" RELATED [ChEBI] synonym: "antihypercholesterolemics" RELATED [ChEBI] synonym: "cholesterol inhibitor" RELATED [ChEBI] synonym: "cholesterol-lowering agent" RELATED [ChEBI] synonym: "cholesterol-lowering agents" RELATED [ChEBI] synonym: "cholesterol-lowering drug" RELATED [ChEBI] synonym: "cholesterol-lowering drugs" RELATED [ChEBI] synonym: "hypocholesteremic agent" RELATED [ChEBI] is_a: CHEBI:35679 ! antilipemic drug [Term] id: CHEBI:35841 name: uricosuric drug namespace: chebi_ontology def: "A gout suppressant that acts directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma." [] subset: 3_STAR synonym: "uricosuric agent" RELATED [ChEBI] synonym: "uricosuric drugs" RELATED [ChEBI] is_a: CHEBI:35845 ! gout suppressant is_a: CHEBI:35846 ! renal agent [Term] id: CHEBI:35842 name: antirheumatic drug namespace: chebi_ontology def: "A drug used to treat rheumatoid arthritis." [] subset: 3_STAR synonym: "anti-rheumatic drugs" RELATED [ChEBI] synonym: "antirheumatic agent" RELATED [ChEBI] synonym: "antirheumatic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35845 name: gout suppressant namespace: chebi_ontology def: "A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout." [] subset: 3_STAR synonym: "gout suppressants" RELATED [ChEBI] is_a: CHEBI:35842 ! antirheumatic drug [Term] id: CHEBI:35846 name: renal agent namespace: chebi_ontology def: "A drug used for its effect on the kidneys' regulation of body fluid composition and volume." [] subset: 3_STAR synonym: "renal agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35868 name: hydroxy monocarboxylic acid namespace: chebi_ontology def: "Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent." [] subset: 3_STAR synonym: "hydroxy acid" RELATED [ChEBI] synonym: "hydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:24669 ! hydroxy carboxylic acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] id: CHEBI:35871 name: oxo monocarboxylic acid namespace: chebi_ontology def: "Any monocarboxylic acid having at least one additional oxo functional group." [] subset: 3_STAR synonym: "oxo monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:25754 ! oxo carboxylic acid relationship: is_conjugate_acid_of CHEBI:35902 ! oxo monocarboxylic acid anion [Term] id: CHEBI:35875 name: imidazopyrimidine namespace: chebi_ontology subset: 3_STAR synonym: "imidazopyrimidines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:35881 name: pnictogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen hydride" EXACT [ChEBI] synonym: "pnictogen hydrides" RELATED [ChEBI] is_a: CHEBI:33242 ! inorganic hydride is_a: CHEBI:33302 ! pnictogen molecular entity [Term] id: CHEBI:35902 name: oxo monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:35178 alt_id: CHEBI:35901 subset: 3_STAR synonym: "oxo monocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:35903 ! oxo carboxylic acid anion relationship: is_conjugate_base_of CHEBI:35871 ! oxo monocarboxylic acid [Term] id: CHEBI:35903 name: oxo carboxylic acid anion namespace: chebi_ontology def: "Any carboxylic acid anion containing at least one oxo group." [] subset: 3_STAR synonym: "oxo carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:25754 ! oxo carboxylic acid [Term] id: CHEBI:35910 name: 2-oxo monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:11634 alt_id: CHEBI:1238 alt_id: CHEBI:13195 alt_id: CHEBI:13594 alt_id: CHEBI:19736 alt_id: CHEBI:35909 def: "Any monocarboxylic acid having a 2-oxo substituent." [] subset: 3_STAR synonym: "2-Oxo acid" RELATED [KEGG_COMPOUND] synonym: "2-oxo acid" RELATED [UniProt] synonym: "2-oxo carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxo monocarboxylic acids" RELATED [ChEBI] synonym: "2-Oxocarboxylate" RELATED [KEGG_COMPOUND] xref: KEGG:C00161 is_a: CHEBI:35871 ! oxo monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:35179 ! 2-oxo monocarboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.02750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.99257" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C([*])=O" xsd:string [Term] id: CHEBI:35942 name: neurotransmitter agent namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "neurotransmitter agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:35969 name: 3-hydroxy monocarboxylic acid namespace: chebi_ontology def: "A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group." [] subset: 3_STAR synonym: "3-hydroxy acid" RELATED [ChEBI] synonym: "3-hydroxy monocarboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxy acid" RELATED [ChEBI] synonym: "beta-hydroxy acids" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid [Term] id: CHEBI:35987 name: diamino acid namespace: chebi_ontology def: "Any amino acid carrying two amino groups." [] subset: 3_STAR is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:59561 ! diamino acid anion [Term] id: CHEBI:35992 name: penams namespace: chebi_ontology def: "Natural and synthetic antibiotics containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure, generally assumed to have the 5R configuration unless otherwise specified." [] subset: 3_STAR synonym: "penams" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:27933 ! beta-lactam antibiotic is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:36005 name: docosahexaenoic acid namespace: chebi_ontology def: "Any C22 polyunsaturated fatty acid containing six double bonds." [] subset: 3_STAR synonym: "DHA" RELATED [ChEBI] synonym: "docosahexaenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "docosahexaenoic acids" RELATED [ChEBI] is_a: CHEBI:132544 ! fatty acid 22:6 is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:53339 ! olefinic fatty acid relationship: is_conjugate_acid_of CHEBI:78060 ! docosahexaenoate relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "328.489" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "328.24023" xsd:string [Term] id: CHEBI:36043 name: antimicrobial drug namespace: chebi_ontology def: "A drug used to treat or prevent microbial infections." [] subset: 3_STAR synonym: "antimicrobial drugs" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:36044 name: antiviral drug namespace: chebi_ontology def: "A substance used in the prophylaxis or therapy of virus diseases." [] subset: 3_STAR synonym: "anti-viral drug" RELATED [ChEBI] synonym: "anti-virus drug" RELATED [ChEBI] synonym: "antiviral drugs" RELATED [ChEBI] is_a: CHEBI:22587 ! antiviral agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:36047 name: antibacterial drug namespace: chebi_ontology def: "A drug used to treat or prevent bacterial infections." [] subset: 3_STAR synonym: "antibacterial drugs" RELATED [ChEBI] xref: Wikipedia:Antibacterial is_a: CHEBI:33282 ! antibacterial agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:36059 name: hydroxy monocarboxylic acid anion namespace: chebi_ontology def: "Any monocarboxylic acid anion carrying at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "hydroxymonocarboxylic acid anion" RELATED [ChEBI] synonym: "hydroxymonocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35868 ! hydroxy monocarboxylic acid [Term] id: CHEBI:36078 name: cholanoid namespace: chebi_ontology alt_id: CHEBI:22867 alt_id: CHEBI:50419 subset: 3_STAR synonym: "bile acids and derivatives" RELATED [LIPID_MAPS] synonym: "cholanoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMST04 {source="LIPID MAPS"} is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35519 ! cholane [Term] id: CHEBI:36080 name: protein namespace: chebi_ontology alt_id: CHEBI:13677 alt_id: CHEBI:14911 def: "A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome." [] subset: 3_STAR synonym: "proteins" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33695 ! information biomacromolecule relationship: has_part CHEBI:16541 ! protein polypeptide chain [Term] id: CHEBI:36141 name: quinone namespace: chebi_ontology alt_id: CHEBI:13684 alt_id: CHEBI:26517 def: "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)." [] subset: 3_STAR synonym: "Chinon" RELATED [ChEBI] synonym: "quinone" EXACT [IUPAC] synonym: "quinones" EXACT IUPAC_NAME [IUPAC] synonym: "quinones" RELATED [ChEBI] xref: Wikipedia:Quinone is_a: CHEBI:3992 ! cyclic ketone [Term] id: CHEBI:36233 name: disaccharide namespace: chebi_ontology alt_id: CHEBI:23844 alt_id: CHEBI:4654 def: "A compound in which two monosaccharides are joined by a glycosidic bond." [] subset: 3_STAR synonym: "disacarido" RELATED [ChEBI] synonym: "disacaridos" RELATED [IUPAC] synonym: "Disaccharid" RELATED [ChEBI] synonym: "Disaccharide" EXACT [KEGG_COMPOUND] synonym: "disaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Disacharid" RELATED [ChEBI] xref: KEGG:C01911 is_a: CHEBI:50699 ! oligosaccharide [Term] id: CHEBI:36234 name: chenodeoxycholate namespace: chebi_ontology alt_id: CHEBI:13960 alt_id: CHEBI:23093 alt_id: CHEBI:57884 def: "Conjugate base of chenodeoxycholic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "3alpha,7alpha-dihydroxy-5beta-cholan-24-oate" EXACT IUPAC_NAME [IUPAC] synonym: "chenodeoxycholate" EXACT [UniProt] synonym: "chenodeoxycholate anion" RELATED [ChEBI] synonym: "chenodeoxycholate(1-)" RELATED [ChEBI] xref: Beilstein:3703074 {source="Beilstein"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:131878 ! cholanic acid anion relationship: is_conjugate_base_of CHEBI:16755 ! chenodeoxycholic acid relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H39O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RUDATBOHQWOJDD-BSWAIDMHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "391.56406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "391.28538" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O" xsd:string [Term] id: CHEBI:36235 name: bile acid anion namespace: chebi_ontology subset: 3_STAR synonym: "bile acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:50160 ! steroid acid anion [Term] id: CHEBI:36237 name: cholanic acid namespace: chebi_ontology def: "A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24." [] subset: 3_STAR synonym: "cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:25312-65-6 {source="ChemIDplus"} xref: Patent:JP2008069152 xref: Reaxys:13246008 {source="Reaxys"} is_a: CHEBI:36278 ! cholanic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPKLZQLYODPWTM-KBMWBBLPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.57320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:36238 name: 5beta-cholanic acid namespace: chebi_ontology subset: 3_STAR synonym: "(5beta)-cholan-24-oic acid" RELATED [ChemIDplus] synonym: "(5beta,17beta)-gamma-methylandrostane-17-butanoic acid" RELATED [ChemIDplus] synonym: "5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5beta-cholanic acid" EXACT [ChemIDplus] synonym: "5beta-cholanoic acid" RELATED [ChemIDplus] synonym: "ursocholanic acid" RELATED [ChemIDplus] xref: Beilstein:3214794 {source="Beilstein"} xref: CAS:546-18-9 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMST04010441 {source="LIPID MAPS"} is_a: CHEBI:36237 ! cholanic acid is_a: CHEBI:36248 ! 5beta-cholanic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPKLZQLYODPWTM-LVVAJZGHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.57320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:36248 name: 5beta-cholanic acids namespace: chebi_ontology def: "Members of the class of cholanic acids based on a 5beta-cholane skeleton." [] subset: 3_STAR is_a: CHEBI:136889 ! 5beta steroid is_a: CHEBI:36278 ! cholanic acids relationship: has_parent_hydride CHEBI:20664 ! 5beta-cholane [Term] id: CHEBI:36277 name: bile acid salt namespace: chebi_ontology def: "A salt of a bile acid." [] subset: 3_STAR synonym: "bile acid salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt is_a: CHEBI:36078 ! cholanoid [Term] id: CHEBI:36278 name: cholanic acids namespace: chebi_ontology alt_id: CHEBI:23166 alt_id: CHEBI:23211 subset: 1_STAR is_a: CHEBI:36078 ! cholanoid is_a: CHEBI:47891 ! steroid acid [Term] id: CHEBI:36309 name: cyclic tetrapyrrole namespace: chebi_ontology subset: 3_STAR synonym: "cyclic tetrapyrroles" RELATED [ChEBI] synonym: "macrocyclic tetrapyrrole" RELATED [ChEBI] synonym: "macrocyclic tetrapyrroles" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26932 ! tetrapyrrole is_a: CHEBI:47882 ! cyclic polypyrrole [Term] id: CHEBI:36313 name: glycerophosphocholine namespace: chebi_ontology alt_id: CHEBI:26698 alt_id: CHEBI:35763 def: "The glycerol phosphate ester of a phosphocholine. A nutrient with many different roles in human health." [] subset: 3_STAR synonym: "glycerophosphocholines" RELATED [ChEBI] xref: PMID:8467564 {source="Europe PMC"} is_a: CHEBI:36700 ! phosphocholines is_a: CHEBI:37739 ! glycerophospholipid [Term] id: CHEBI:36333 name: local anaesthetic namespace: chebi_ontology def: "Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block." [] subset: 3_STAR synonym: "anesthesique local" RELATED [ChEBI] synonym: "local anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "local anaesthetics" RELATED [ChEBI] synonym: "local anesthetics" RELATED [ChEBI] synonym: "Lokalanaesthetikum" RELATED [ChEBI] is_a: CHEBI:38867 ! anaesthetic [Term] id: CHEBI:36338 name: lepton namespace: chebi_ontology def: "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin)." [] subset: 3_STAR synonym: "leptons" RELATED [ChEBI] is_a: CHEBI:33233 ! fundamental particle is_a: CHEBI:36340 ! fermion [Term] id: CHEBI:36339 name: baryon namespace: chebi_ontology def: "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy)." [] subset: 3_STAR synonym: "baryons" RELATED [ChEBI] is_a: CHEBI:36340 ! fermion is_a: CHEBI:36344 ! hadron [Term] id: CHEBI:36340 name: fermion namespace: chebi_ontology def: "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." [] subset: 3_STAR synonym: "fermion" EXACT IUPAC_NAME [IUPAC] synonym: "fermions" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36342 name: subatomic particle namespace: chebi_ontology def: "A particle smaller than an atom." [] subset: 3_STAR synonym: "subatomic particles" RELATED [ChEBI] xref: Wikipedia:Subatomic_particle [Term] id: CHEBI:36343 name: composite particle namespace: chebi_ontology def: "A subatomic particle known to have substructure (i.e. consisting of smaller particles)." [] subset: 3_STAR synonym: "composite particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36344 name: hadron namespace: chebi_ontology def: "Hadron is a subatomic particle which experiences the strong force." [] subset: 3_STAR synonym: "hadrons" RELATED [ChEBI] is_a: CHEBI:36343 ! composite particle [Term] id: CHEBI:36347 name: nuclear particle namespace: chebi_ontology def: "A nucleus or any of its constituents in any of their energy states." [] subset: 3_STAR synonym: "nuclear particle" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36357 name: polyatomic entity namespace: chebi_ontology def: "Any molecular entity consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic entities" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:24433 ! group [Term] id: CHEBI:36358 name: polyatomic ion namespace: chebi_ontology def: "An ion consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:36359 name: phosphorus oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus oxoacid derivative" EXACT [ChEBI] is_a: CHEBI:33241 ! oxoacid derivative is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives relationship: has_functional_parent CHEBI:33457 ! phosphorus oxoacid [Term] id: CHEBI:36360 name: phosphorus oxoacids and derivatives namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26082 ! phosphorus molecular entity [Term] id: CHEBI:36364 name: alkaline earth salt namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:33299 ! alkaline earth molecular entity [Term] id: CHEBI:36586 name: carbonyl compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "carbonyl compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36587 ! organic oxo compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_part CHEBI:23019 ! carbonyl group [Term] id: CHEBI:36587 name: organic oxo compound namespace: chebi_ontology def: "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element." [] subset: 3_STAR synonym: "organic oxo compounds" RELATED [ChEBI] synonym: "oxo compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:72695 ! organic molecule relationship: has_part CHEBI:46629 ! oxo group [Term] id: CHEBI:36688 name: heterotricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterotricyclic compound" EXACT [ChEBI] synonym: "heterotricyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:33671 ! heteropolycyclic compound [Term] id: CHEBI:36699 name: corticosteroid hormone namespace: chebi_ontology def: "Any of a class of steroid hormones that are produced in the adrenal cortex." [] subset: 3_STAR synonym: "adrenal cortex hormones" RELATED [ChEBI] synonym: "corticosteroid hormones" RELATED [ChEBI] is_a: CHEBI:26764 ! steroid hormone is_a: CHEBI:50858 ! corticosteroid [Term] id: CHEBI:36700 name: phosphocholines namespace: chebi_ontology def: "Any compound having phosphocholine as part of its structure." [] subset: 3_STAR synonym: "choline phosphates" RELATED [ChEBI] synonym: "O-phosphocholines" RELATED [ChEBI] synonym: "phosphorylcholines" RELATED [ChEBI] is_a: CHEBI:23213 ! choline ester is_a: CHEBI:23217 ! cholines is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:36735 name: biladienes namespace: chebi_ontology def: "Compounds based on a biladiene skeleton." [] subset: 3_STAR is_a: CHEBI:25046 ! linear tetrapyrrole [Term] id: CHEBI:36830 name: monoanion namespace: chebi_ontology subset: 3_STAR synonym: "monoanions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string [Term] id: CHEBI:36834 name: 3-hydroxy steroid namespace: chebi_ontology def: "Any hydroxy steroid carrying a hydroxy group at position 3." [] subset: 3_STAR synonym: "3-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36835 name: 3alpha-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:71194 def: "A 3-hydroxy steroid in which the 3-hydroxy substituent is in the alpha-position." [] subset: 3_STAR synonym: "3alpha-hydroxy steroids" RELATED [ChEBI] synonym: "3alpha-hydroxysteroid" RELATED [ChEBI] synonym: "3alpha-hydroxysteroids" RELATED [ChEBI] synonym: "a 3alpha-hydroxysteroid" RELATED [UniProt] xref: MetaCyc:3-alpha-Hydroxysteroids xref: PMID:11514561 {source="SUBMITTER"} is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:36834 ! 3-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@H](C4)O)C" xsd:string [Term] id: CHEBI:36836 name: 3beta-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:71195 def: "A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position." [] subset: 3_STAR synonym: "3beta-hydroxy steroids" RELATED [ChEBI] synonym: "a 3beta-hydroxysteroid" RELATED [UniProt] xref: KEGG:C02945 xref: MetaCyc:3-Beta-Hydroxysterols xref: PMID:10535978 {source="SUBMITTER"} xref: PMID:12829805 {source="SUBMITTER"} is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:36834 ! 3-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C" xsd:string [Term] id: CHEBI:36843 name: 7alpha-hydroxy steroid namespace: chebi_ontology def: "A 7-hydroxy steroid in which the hydroxy group at position 7 has an alpha-configuration." [] subset: 3_STAR synonym: "7alpha-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:36844 ! 7-hydroxy steroid [Term] id: CHEBI:36844 name: 7-hydroxy steroid namespace: chebi_ontology def: "A hydroxy steroid carrying a hydroxy substituent at position 7." [] subset: 3_STAR synonym: "7-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36845 name: 12-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "12-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36846 name: 12alpha-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "12alpha-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:36845 ! 12-hydroxy steroid [Term] id: CHEBI:36853 name: hydroxy seco-steroid namespace: chebi_ontology subset: 3_STAR synonym: "hydroxy seco-steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid is_a: CHEBI:35788 ! seco-steroid [Term] id: CHEBI:36892 name: elemental fluorine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33434 ! elemental halogen [Term] id: CHEBI:36895 name: monoatomic fluorine namespace: chebi_ontology subset: 3_STAR synonym: "atomic fluorine" RELATED [ChEBI] is_a: CHEBI:36892 ! elemental fluorine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string [Term] id: CHEBI:36914 name: inorganic ion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic ions" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:24870 ! ion [Term] id: CHEBI:36915 name: inorganic cation namespace: chebi_ontology subset: 3_STAR synonym: "inorganic cations" RELATED [ChEBI] is_a: CHEBI:36914 ! inorganic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:36916 name: cation namespace: chebi_ontology alt_id: CHEBI:23058 alt_id: CHEBI:3473 def: "A monoatomic or polyatomic species having one or more elementary charges of the proton." [] subset: 3_STAR synonym: "Cation" EXACT [KEGG_COMPOUND] synonym: "cation" EXACT IUPAC_NAME [IUPAC] synonym: "cation" EXACT [ChEBI] synonym: "cationes" RELATED [ChEBI] synonym: "cations" RELATED [ChEBI] synonym: "Kation" RELATED [ChEBI] synonym: "Kationen" RELATED [ChEBI] xref: KEGG:C01373 is_a: CHEBI:24870 ! ion [Term] id: CHEBI:36961 name: chalcocarbonic acid namespace: chebi_ontology subset: 3_STAR synonym: "chalcocarbonic acid" EXACT [ChEBI] synonym: "chalcocarbonic acids" EXACT IUPAC_NAME [IUPAC] synonym: "chalcocarbonic acids" RELATED [ChEBI] is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:36962 name: organochalcogen compound namespace: chebi_ontology def: "An organochalcogen compound is a compound containing at least one carbon-chalcogen bond." [] subset: 3_STAR synonym: "organochalcogen compound" EXACT [ChEBI] synonym: "organochalcogen compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:33304 ! chalcogen molecular entity [Term] id: CHEBI:36963 name: organooxygen compound namespace: chebi_ontology def: "An organochalcogen compound containing at least one carbon-oxygen bond." [] subset: 3_STAR synonym: "organooxygen compound" EXACT [ChEBI] synonym: "organooxygen compounds" RELATED [ChEBI] xref: PMID:17586126 {source="Europe PMC"} is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:36970 name: vitamin B6 phosphate namespace: chebi_ontology subset: 3_STAR synonym: "vitamin B-6 phosphates" RELATED [JCBN] synonym: "vitamin B6 phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:27306 ! vitamin B6 is_a: CHEBI:37734 ! phosphoric ester relationship: is_conjugate_acid_of CHEBI:176894 ! vitamin B6 phosphate anion relationship: RO:0000087 CHEBI:23357 ! has role cofactor [Term] id: CHEBI:37022 name: amino-acid anion namespace: chebi_ontology subset: 3_STAR synonym: "amino acid anions" RELATED [ChEBI] synonym: "amino-acid anion" EXACT [ChEBI] synonym: "amino-acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion is_a: CHEBI:35352 ! organonitrogen compound relationship: is_conjugate_base_of CHEBI:33709 ! amino acid [Term] id: CHEBI:37175 name: organic hydride namespace: chebi_ontology subset: 3_STAR synonym: "organic hydrides" RELATED [ChEBI] is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:37176 name: mononuclear parent hydride namespace: chebi_ontology subset: 3_STAR synonym: "mononuclear hydride" RELATED [ChEBI] synonym: "mononuclear hydrides" RELATED [IUPAC] synonym: "mononuclear parent hydrides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:37246 name: elemental sodium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26712 ! sodium molecular entity [Term] id: CHEBI:37247 name: elemental potassium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26217 ! potassium molecular entity [Term] id: CHEBI:37253 name: elemental zinc namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27364 ! zinc molecular entity [Term] id: CHEBI:37257 name: phytanate namespace: chebi_ontology alt_id: CHEBI:14834 alt_id: CHEBI:26109 def: "A branched-chain saturated fatty acid anion that is the conjugate base of phytanic acid, arising from deprotonation of the carboxylic acid group." [] subset: 3_STAR synonym: "3,7,11,15-tetramethylhexadecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "3,7,11,15-tetramethylhexadecanoate" RELATED [UniProt] synonym: "3,7,11,15-tetramethylpalmitate" RELATED [ChEBI] synonym: "phytanate anion" RELATED [ChEBI] xref: Beilstein:3669982 {source="Beilstein"} xref: KEGG:C01607 xref: PMID:5130448 {source="Europe PMC"} xref: Reaxys:3669982 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:57560 ! long-chain fatty acid anion is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion is_a: CHEBI:83972 ! 3-methyl fatty acid anion relationship: has_functional_parent CHEBI:15756 ! hexadecanoic acid relationship: has_functional_parent CHEBI:7896 ! hexadecanoate relationship: is_conjugate_base_of CHEBI:16285 ! phytanic acid relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H39O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLCKHJSFHOZMDR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "311.52246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "311.29555" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O" xsd:string [Term] id: CHEBI:37323 name: 7,8-dimethylisoalloxazine namespace: chebi_ontology def: "A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8." [] subset: 3_STAR synonym: "7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "dimethylisoalloxazine" RELATED [IUPAC] xref: Beilstein:539579 {source="Beilstein"} xref: PMID:16128574 {source="Europe PMC"} xref: Reaxys:539579 {source="Reaxys"} is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione relationship: has_functional_parent CHEBI:37327 ! isoalloxazine relationship: is_tautomer_of CHEBI:17781 ! lumichrome property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJTJUVIJVLLGSP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.23356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.08038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[nH]c3=O)[nH]c2cc1C" xsd:string [Term] id: CHEBI:37324 name: 7,8-dimethylbenzo[g]pteridine-2,4-dione namespace: chebi_ontology subset: 3_STAR synonym: "7,8-dimethylbenzo[g]pteridine-2,4-dione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:38925 ! benzopteridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.08038" xsd:string [Term] id: CHEBI:37325 name: alloxazine namespace: chebi_ontology subset: 3_STAR synonym: "Alloxazin" RELATED [NIST_Chemistry_WebBook] synonym: "alloxazine" EXACT [NIST_Chemistry_WebBook] synonym: "benzo[g]pteridine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:85819 {source="Beilstein"} xref: CAS:490-59-5 {source="NIST Chemistry WebBook"} xref: LINCS:LSM-2889 is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione relationship: is_tautomer_of CHEBI:37327 ! isoalloxazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAUGRYOERYOXHX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.18040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.04908" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:37326 name: benzo[g]pteridine-2,4-dione namespace: chebi_ontology subset: 3_STAR synonym: "benzo[g]pteridine-2,4-dione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:38925 ! benzopteridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.181" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.04908" xsd:string [Term] id: CHEBI:37327 name: isoalloxazine namespace: chebi_ontology subset: 3_STAR synonym: "benzo[g]pteridine-2,4(3H,10H)-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:991206 {source="Beilstein"} is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione relationship: is_tautomer_of CHEBI:37325 ! alloxazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAUGRYOERYOXHX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.18040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.04908" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:37334 name: diagnostic imaging agent namespace: chebi_ontology def: "A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease." [] subset: 3_STAR is_a: CHEBI:33295 ! diagnostic agent [Term] id: CHEBI:37395 name: mucopolysaccharide namespace: chebi_ontology alt_id: CHEBI:25425 alt_id: CHEBI:7011 def: "Any of the group of polysaccharides composed of alternating units from uronic acids and glycosamines, and commonly partially esterified with sulfuric acid." [] subset: 3_STAR synonym: "mucopolisacarido" RELATED [ChEBI] synonym: "mucopolisacaridos" RELATED [IUPAC] synonym: "Mucopolysaccharid" RELATED [ChEBI] synonym: "Mucopolysaccharide" EXACT [KEGG_COMPOUND] synonym: "mucopolysaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Mukopolysaccharid" RELATED [ChEBI] xref: KEGG:C05114 is_a: CHEBI:18085 ! glycosaminoglycan [Term] id: CHEBI:37397 name: chondroitin sulfate namespace: chebi_ontology alt_id: CHEBI:23224 alt_id: CHEBI:3676 def: "Any of a class of 10--60 kDa glycosaminoglycan sulfates, widely distributed in cartilage and other mammalian connective tissues." [] subset: 3_STAR synonym: "chondroitin polysulfate" RELATED [ChemIDplus] synonym: "Chondroitin sulfate" EXACT [KEGG_COMPOUND] synonym: "chondroitin sulfates" RELATED [ChemIDplus] synonym: "chondroitin sulfuric acid" RELATED [ChemIDplus] synonym: "chondroitin sulphate" RELATED [ChemIDplus] synonym: "Chondroitinsulfat" RELATED [ChEBI] xref: CAS:9007-28-7 {source="ChemIDplus"} xref: CAS:9007-28-7 {source="KEGG COMPOUND"} xref: KEGG:C00607 xref: PMID:11514091 {source="Europe PMC"} xref: PMID:7538297 {source="Europe PMC"} is_a: CHEBI:35722 ! sulfated glycosaminoglycan is_a: CHEBI:37395 ! mucopolysaccharide relationship: has_functional_parent CHEBI:16137 ! chondroitin D-glucuronate [Term] id: CHEBI:37445 name: folic acids namespace: chebi_ontology alt_id: CHEBI:24074 alt_id: CHEBI:24076 def: "A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units." [] subset: 3_STAR synonym: "folate" RELATED [ChEBI] synonym: "folates" EXACT IUPAC_NAME [IUPAC] synonym: "folates" RELATED [ChEBI] is_a: CHEBI:176842 ! vitamin B9 is_a: CHEBI:26375 ! pterins is_a: CHEBI:83982 ! L-glutamic acid derivative relationship: is_conjugate_acid_of CHEBI:67011 ! folates [Term] id: CHEBI:37527 name: acid namespace: chebi_ontology alt_id: CHEBI:13800 alt_id: CHEBI:13801 alt_id: CHEBI:22209 alt_id: CHEBI:2426 def: "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)." [] subset: 3_STAR synonym: "Acid" EXACT [KEGG_COMPOUND] synonym: "acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide" RELATED [IUPAC] synonym: "acido" RELATED [ChEBI] synonym: "acids" RELATED [ChEBI] synonym: "Saeure" RELATED [ChEBI] synonym: "Saeuren" RELATED [ChEBI] xref: KEGG:C00174 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:37577 name: heteroatomic molecular entity namespace: chebi_ontology def: "A molecular entity consisting of two or more chemical elements." [] subset: 3_STAR synonym: "chemical compound" RELATED [ChEBI] synonym: "heteroatomic molecular entities" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:37581 name: gamma-lactone namespace: chebi_ontology alt_id: CHEBI:13194 alt_id: CHEBI:18937 alt_id: CHEBI:22971 alt_id: CHEBI:541 def: "A lactone having a five-membered lactone ring." [] subset: 3_STAR synonym: "1,4-Lactone" RELATED [KEGG_COMPOUND] synonym: "1,4-lactones" RELATED [ChEBI] synonym: "a 1,4-lactone" RELATED [UniProt] synonym: "butyrolactones" RELATED [ChEBI] synonym: "gamma-lactona" RELATED [ChEBI] synonym: "gamma-lactonas" RELATED [ChEBI] synonym: "gamma-lactones" RELATED [ChEBI] synonym: "gamma-Laktone" RELATED [ChEBI] xref: PMID:18789684 {source="Europe PMC"} is_a: CHEBI:25000 ! lactone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3O2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "83.066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C(C(C(C1=O)*)*)*" xsd:string [Term] id: CHEBI:37622 name: carboxamide namespace: chebi_ontology alt_id: CHEBI:35354 alt_id: CHEBI:35355 def: "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." [] subset: 3_STAR synonym: "carboxamides" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamides" RELATED [ChEBI] synonym: "primary carboxamide" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_part CHEBI:23004 ! carbamoyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)N([*])[*]" xsd:string [Term] id: CHEBI:37670 name: protease inhibitor namespace: chebi_ontology def: "A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases)." [] subset: 3_STAR synonym: "protease inhibitors" RELATED [ChEBI] xref: Wikipedia:Protease_inhibitor_(biology) is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:37733 name: EC 3.1.1.8 (cholinesterase) inhibitor namespace: chebi_ontology def: "An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8)." [] subset: 3_STAR synonym: "anticholineesterase inhibitor" RELATED [ChEBI] synonym: "anticholineesterase inhibitors" RELATED [ChEBI] synonym: "anticholinesterase" RELATED [ChEBI] synonym: "anticholinesterases" RELATED [ChEBI] synonym: "BChE inhibitor" RELATED [ChEBI] synonym: "BChE inhibitors" RELATED [ChEBI] synonym: "benzoylcholinesterase inhibitor" RELATED [ChEBI] synonym: "benzoylcholinesterase inhibitors" RELATED [ChEBI] synonym: "BtChoEase inhibitor" RELATED [ChEBI] synonym: "BtChoEase inhibitors" RELATED [ChEBI] synonym: "butyrylcholine esterase inhibitor" RELATED [ChEBI] synonym: "butyrylcholine esterase inhibitors" RELATED [ChEBI] synonym: "butyrylcholinesterase inhibitor" RELATED [ChEBI] synonym: "butyrylcholinesterase inhibitors" RELATED [ChEBI] synonym: "choline esterase II (unspecific) inhibitor" RELATED [ChEBI] synonym: "choline esterase II (unspecific) inhibitors" RELATED [ChEBI] synonym: "choline esterase inhibitor" RELATED [ChEBI] synonym: "choline esterase inhibitors" RELATED [ChEBI] synonym: "cholinesterase (EC 3.1.1.8) inhibitor" RELATED [ChEBI] synonym: "cholinesterase (EC 3.1.1.8) inhibitors" RELATED [ChEBI] synonym: "cholinesterase inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.8 (cholinesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.8 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.8 inhibitors" RELATED [ChEBI] synonym: "non-specific cholinesterase inhibitor" RELATED [ChEBI] synonym: "non-specific cholinesterase inhibitors" RELATED [ChEBI] synonym: "propionylcholinesterase inhibitor" RELATED [ChEBI] synonym: "propionylcholinesterase inhibitors" RELATED [ChEBI] synonym: "pseudocholinesterase inhibitor" RELATED [ChEBI] synonym: "pseudocholinesterase inhibitors" RELATED [ChEBI] is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:37734 name: phosphoric ester namespace: chebi_ontology alt_id: CHEBI:26019 subset: 1_STAR is_a: CHEBI:26079 ! phosphoric acid derivative is_a: CHEBI:35701 ! ester [Term] id: CHEBI:37739 name: glycerophospholipid namespace: chebi_ontology alt_id: CHEBI:24362 alt_id: CHEBI:5456 def: "Any glycerolipid having a phosphate group ester-linked to a terminal carbon of the glycerol backbone." [] subset: 3_STAR synonym: "glycerophospholipids" RELATED [ChEBI] synonym: "phosphatide" RELATED [ChEBI] synonym: "phosphatides" RELATED [ChEBI] synonym: "phosphoglyceride" RELATED [ChEBI] synonym: "phosphoglycerides" RELATED [ChEBI] xref: PMID:17393491 {source="Europe PMC"} is_a: CHEBI:16247 ! phospholipid is_a: CHEBI:35741 ! glycerolipid [Term] id: CHEBI:37806 name: penicillanic acid namespace: chebi_ontology def: "A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration." [] subset: 3_STAR synonym: "(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" RELATED [IUPAC] synonym: "2,2-dimethylpenam-3alpha-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "penicillanic acid" EXACT [ChemIDplus] xref: Beilstein:4677775 {source="Beilstein"} xref: CAS:87-53-6 {source="ChemIDplus"} xref: Reaxys:4677775 {source="Reaxys"} is_a: CHEBI:25865 ! penicillanic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RBKMMJSQKNKNEV-RITPCOANSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "201.24388" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.04596" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2" xsd:string [Term] id: CHEBI:37808 name: butane namespace: chebi_ontology alt_id: CHEBI:22945 alt_id: CHEBI:25462 alt_id: CHEBI:44430 def: "A straight chain alkane composed of 4 carbon atoms." [] subset: 3_STAR synonym: "butane" EXACT IUPAC_NAME [IUPAC] synonym: "butane" EXACT [UniProt] synonym: "E 943a" RELATED [ChEBI] synonym: "E-943a" RELATED [ChEBI] synonym: "E943a" RELATED [ChEBI] synonym: "n-Butan" RELATED [ChEBI] synonym: "N-BUTANE" RELATED [PDBeChem] synonym: "n-butane" RELATED [NIST_Chemistry_WebBook] synonym: "n-C4H10" RELATED [NIST_Chemistry_WebBook] synonym: "R-600" RELATED [ChEBI] xref: Beilstein:969129 {source="Beilstein"} xref: CAS:106-97-8 {source="ChemIDplus"} xref: CAS:106-97-8 {source="NIST Chemistry WebBook"} xref: Gmelin:1148 {source="Gmelin"} xref: PDBeChem:NBU xref: PMID:24179026 {source="Europe PMC"} xref: Reaxys:969129 {source="Reaxys"} xref: Wikipedia:Butane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane relationship: RO:0000087 CHEBI:78017 ! has role food propellant relationship: RO:0000087 CHEBI:78433 ! has role refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IJDNQMDRQITEOD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.12220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC" xsd:string [Term] id: CHEBI:37826 name: sulfuric acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "sulfuric acid derivative" EXACT [ChEBI] synonym: "sulfuric acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:26836 ! sulfuric acid [Term] id: CHEBI:37838 name: carboacyl group namespace: chebi_ontology def: "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR synonym: "carboacyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl group" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl groups" RELATED [IUPAC] is_a: CHEBI:22221 ! acyl group relationship: is_substituent_group_from CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:37886 name: adrenergic agonist namespace: chebi_ontology def: "An agent that selectively binds to and activates adrenergic receptors." [] subset: 3_STAR synonym: "adrenergic agonists" RELATED [ChEBI] synonym: "adrenergic receptor agonist" RELATED [ChEBI] synonym: "adrenoceptor agonists" RELATED [IUPHAR] synonym: "adrenomimetic" RELATED [ChEBI] synonym: "adrenomimetics" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:37887 name: adrenergic antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists." [] subset: 3_STAR synonym: "adrenergic antagonists" RELATED [ChEBI] synonym: "adrenergic blockaders" RELATED [ChEBI] synonym: "adrenergic blocker" RELATED [ChEBI] synonym: "adrenergic blockers" RELATED [ChEBI] synonym: "adrenergic receptor blockaders" RELATED [ChEBI] synonym: "adrenoceptor antagonists" RELATED [IUPHAR] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:37890 name: alpha-adrenergic antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma." [] subset: 3_STAR synonym: "alpha-adrenergic antagonists" RELATED [ChEBI] synonym: "alpha-adrenergic blocker" RELATED [ChEBI] synonym: "alpha-adrenergic blockers" RELATED [ChEBI] synonym: "alpha-adrenergic receptor blockaders" RELATED [ChEBI] synonym: "alpha-adrenoceptor antagonists" RELATED [IUPHAR] is_a: CHEBI:37887 ! adrenergic antagonist is_a: CHEBI:48539 ! alpha-adrenergic drug [Term] id: CHEBI:37956 name: histamine antagonist namespace: chebi_ontology def: "Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists." [] subset: 3_STAR synonym: "antihistamine" RELATED [ChEBI] synonym: "antihistamines" RELATED [ChEBI] synonym: "antihistaminico" RELATED [ChEBI] synonym: "antihistaminics" RELATED [ChEBI] synonym: "histamine receptor blocker" RELATED [ChEBI] synonym: "histamine receptor blockers" RELATED [ChEBI] xref: PMID:22035879 {source="Europe PMC"} xref: Wikipedia:Antihistamines is_a: CHEBI:37957 ! histaminergic drug is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:37957 name: histaminergic drug namespace: chebi_ontology def: "Drugs used for their actions on histaminergic systems." [] subset: 3_STAR synonym: "histamine agents" RELATED [ChEBI] synonym: "histamine drugs" RELATED [ChEBI] synonym: "histaminergic agent" RELATED [ChEBI] synonym: "histaminergic agents" RELATED [ChEBI] synonym: "histaminergic drugs" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:37962 name: adrenergic agent namespace: chebi_ontology def: "Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter." [] subset: 3_STAR synonym: "adrenergic agents" RELATED [ChEBI] synonym: "adrenergic drug" RELATED [ChEBI] synonym: "adrenergic drugs" RELATED [ChEBI] synonym: "adrenergic neuron agents" RELATED [ChEBI] synonym: "adrenergics" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:38070 name: anti-arrhythmia drug namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "anti-arrhythmia agent" RELATED [ChEBI] synonym: "antiarrhythmic agent" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:38077 name: polypyrrole namespace: chebi_ontology def: "A compound composed of two or more pyrrole units." [] subset: 3_STAR synonym: "poly(pyrrole)s" RELATED [ChEBI] synonym: "polypyrroles" RELATED [ChEBI] synonym: "PPys" RELATED [ChEBI] xref: Beilstein:8538310 {source="Beilstein"} is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38101 name: organonitrogen heterocyclic compound namespace: chebi_ontology def: "Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms." [] subset: 3_STAR synonym: "heterocyclic organonitrogen compounds" RELATED [ChEBI] synonym: "organonitrogen heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:38104 name: oxacycle namespace: chebi_ontology def: "Any organic heterocyclic compound containing at least one ring oxygen atom." [] subset: 3_STAR synonym: "heterocyclic organooxygen compounds" RELATED [ChEBI] synonym: "organooxygen heterocyclic compounds" RELATED [ChEBI] synonym: "oxacycles" RELATED [ChEBI] xref: PMID:17134300 {source="Europe PMC"} is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:38106 name: organosulfur heterocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic organosulfur compounds" RELATED [ChEBI] synonym: "organosulfur heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:38157 name: iron chelator namespace: chebi_ontology subset: 3_STAR synonym: "iron chelating agents" RELATED [ChEBI] synonym: "iron chelators" RELATED [ChEBI] is_a: CHEBI:38161 ! chelator [Term] id: CHEBI:38161 name: chelator namespace: chebi_ontology alt_id: CHEBI:23090 alt_id: CHEBI:3585 alt_id: CHEBI:6789 def: "A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate." [] subset: 3_STAR synonym: "Chelating agent" RELATED [KEGG_COMPOUND] synonym: "chelating agents" RELATED [ChEBI] synonym: "chelators" RELATED [ChEBI] synonym: "complexon" RELATED [ChEBI] synonym: "Metal chelator" RELATED [KEGG_COMPOUND] xref: KEGG:C00917 xref: KEGG:C02169 is_a: CHEBI:52214 ! ligand [Term] id: CHEBI:38166 name: organic heteropolycyclic compound namespace: chebi_ontology alt_id: CHEBI:25429 alt_id: CHEBI:38075 subset: 3_STAR synonym: "organic heteropolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33671 ! heteropolycyclic compound [Term] id: CHEBI:38179 name: monocyclic heteroarene namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic heteroarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene [Term] id: CHEBI:38181 name: pyridinemonocarboxylate namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'." [] subset: 3_STAR synonym: "pyridinemonocarboxylates" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26420 ! pyridinemonocarboxylic acid [Term] id: CHEBI:38182 name: monohydroxypyridine namespace: chebi_ontology def: "A hydroxypyridine carrying a single hydroxy substituent." [] subset: 3_STAR synonym: "monohydroxypyridines" RELATED [ChEBI] is_a: CHEBI:24745 ! hydroxypyridine [Term] id: CHEBI:38187 name: pyridinecarbaldehyde namespace: chebi_ontology subset: 3_STAR synonym: "pyridinecarbaldehydes" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:49104 ! heteroarenecarbaldehyde [Term] id: CHEBI:38196 name: hydroxymethylpyridine namespace: chebi_ontology def: "Any member of the class of pyridines carrying a hydroxymethyl substituent at unspecified position." [] subset: 3_STAR synonym: "hydroxymethylpyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:38215 name: calcium channel blocker namespace: chebi_ontology def: "One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools." [] subset: 3_STAR synonym: "calcium channel antagonist" RELATED [ChEBI] synonym: "calcium channel antagonists" RELATED [ChEBI] synonym: "calcium channel blockers" RELATED [ChEBI] is_a: CHEBI:38808 ! calcium channel modulator is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:38234 name: DNA polymerase inhibitor namespace: chebi_ontology def: "Any inhibitor of a DNA polymerase." [] subset: 3_STAR is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor [Term] id: CHEBI:38264 name: 2-amino-3-methylpentanoic acid namespace: chebi_ontology def: "A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2." [] subset: 3_STAR synonym: "2-amino-3-methylpentanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:443-79-8 {source="ChemIDplus"} xref: CAS:443-79-8 {source="KEGG COMPOUND"} xref: KEGG:C16434 xref: PMID:10944265 {source="Europe PMC"} xref: Reaxys:1721790 {source="Reaxys"} is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGPKZVBTJJNPAG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.17296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)C(N)C(O)=O" xsd:string [Term] id: CHEBI:38295 name: azabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "azabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38297 name: thiabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "thiabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38311 name: cephem namespace: chebi_ontology subset: 3_STAR synonym: "cephems" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:27933 ! beta-lactam antibiotic is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38313 name: diazines namespace: chebi_ontology def: "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)." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38323 name: cholinergic drug namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "cholinergic agent" RELATED [ChEBI] synonym: "cholinergic drugs" RELATED [ChEBI] synonym: "cholinomimetic" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:38324 name: cholinergic agonist namespace: chebi_ontology def: "Any drug that binds to and activates cholinergic receptors." [] subset: 3_STAR synonym: "acetylcholine agonist" RELATED [ChEBI] synonym: "acetylcholine agonists" RELATED [ChEBI] synonym: "acetylcholine receptor agonist" RELATED [IUPHAR] synonym: "cholinergic agonists" RELATED [ChEBI] synonym: "cholinomimetic" RELATED [ChEBI] synonym: "cholinomimetics" RELATED [ChEBI] is_a: CHEBI:38323 ! cholinergic drug [Term] id: CHEBI:38325 name: muscarinic agonist namespace: chebi_ontology def: "Any drug that binds to and activates a muscarinic cholinergic receptor." [] subset: 3_STAR synonym: "muscarinic acetylcholine receptor agonist" RELATED [ChEBI] synonym: "muscarinic agonists" RELATED [ChEBI] synonym: "muscarinic cholinergic agonist" RELATED [ChEBI] synonym: "muscarinic cholinergic agonists" RELATED [ChEBI] is_a: CHEBI:38324 ! cholinergic agonist [Term] id: CHEBI:38337 name: pyrimidone namespace: chebi_ontology def: "A pyrimidine carrying one or more oxo substituents." [] subset: 3_STAR synonym: "pyrimidones" RELATED [ChEBI] is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:38338 name: aminopyrimidine namespace: chebi_ontology def: "A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives." [] subset: 3_STAR synonym: "aminopyrimidines" RELATED [ChEBI] is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:38418 name: 1,3-thiazoles namespace: chebi_ontology alt_id: CHEBI:26949 alt_id: CHEBI:38417 subset: 3_STAR synonym: "1,3-thiazoles" EXACT [ChEBI] is_a: CHEBI:48901 ! thiazoles [Term] id: CHEBI:38443 name: 1-benzopyran namespace: chebi_ontology subset: 3_STAR synonym: "1-benzopyrans" RELATED [ChEBI] is_a: CHEBI:22727 ! benzopyran [Term] id: CHEBI:38462 name: EC 3.1.1.7 (acetylcholinesterase) inhibitor namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "AcCholE inhibitor" RELATED [ChEBI] synonym: "AcCholE inhibitors" RELATED [ChEBI] synonym: "acetyl.beta-methylcholinesterase inhibitor" RELATED [ChEBI] synonym: "acetyl.beta-methylcholinesterase inhibitors" RELATED [ChEBI] synonym: "acetylcholine acetylhydrolase inhibitor" RELATED [ChEBI] synonym: "acetylcholine acetylhydrolase inhibitors" RELATED [ChEBI] synonym: "acetylcholine esterase inhibitor" RELATED [ChEBI] synonym: "acetylcholine hydrolase inhibitor" RELATED [ChEBI] synonym: "acetylcholine hydrolase inhibitors" RELATED [ChEBI] synonym: "acetylcholinesterase (EC 3.1.1.7) inhibitor" RELATED [ChEBI] synonym: "acetylcholinesterase (EC 3.1.1.7) inhibitors" RELATED [ChEBI] synonym: "acetylcholinesterase inhibitor" RELATED [ChEBI] synonym: "acetylcholinesterase inhibitors" RELATED [ChEBI] synonym: "acetylthiocholinesterase inhibitor" RELATED [ChEBI] synonym: "acetylthiocholinesterase inhibitors" RELATED [ChEBI] synonym: "AChEI" RELATED [ChEBI] synonym: "choline esterase I inhibitor" RELATED [ChEBI] synonym: "choline esterase I inhibitors" RELATED [ChEBI] synonym: "cholinesterase inhibitor" RELATED [ChEBI] synonym: "cholinesterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.7 (acetylcholinesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.7 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.7 inhibitors" RELATED [ChEBI] synonym: "true cholinesterase inhibitor" RELATED [ChEBI] synonym: "true cholinesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Acetylcholinesterase_inhibitor is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:38623 name: EC 1.4.3.4 (monoamine oxidase) inhibitor namespace: chebi_ontology def: "An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4)." [] subset: 3_STAR synonym: "adrenalin oxidase inhibitor" RELATED [ChEBI] synonym: "adrenalin oxidase inhibitors" RELATED [ChEBI] synonym: "adrenaline oxidase inhibitor" RELATED [ChEBI] synonym: "adrenaline oxidase inhibitors" RELATED [ChEBI] synonym: "amine oxidase (flavin-containing) inhibitor" RELATED [ChEBI] synonym: "amine oxidase (flavin-containing) inhibitors" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.4 (monoamine oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.4 inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.4 inhibitors" RELATED [ChEBI] synonym: "epinephrine oxidase inhibitor" RELATED [ChEBI] synonym: "epinephrine oxidase inhibitors" RELATED [ChEBI] synonym: "MAO A inhibitor" RELATED [ChEBI] synonym: "MAO A inhibitors" RELATED [ChEBI] synonym: "MAO B inhibitor" RELATED [ChEBI] synonym: "MAO B inhibitors" RELATED [ChEBI] synonym: "MAO inhibitor" RELATED [ChEBI] synonym: "MAO inhibitors" RELATED [ChEBI] synonym: "MAO-A inhibitor" RELATED [ChEBI] synonym: "MAO-A inhibitors" RELATED [ChEBI] synonym: "MAO-B inhibitor" RELATED [ChEBI] synonym: "MAO-B inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase (EC 1.4.3.4) inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase (EC 1.4.3.4) inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase A inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase A inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase B inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase B inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase inhibitors" RELATED [ChEBI] synonym: "monoamine:O2 oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "monoamine:O2 oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "serotonin deaminase inhibitor" RELATED [ChEBI] synonym: "serotonin deaminase inhibitors" RELATED [ChEBI] synonym: "tyraminase inhibitor" RELATED [ChEBI] synonym: "tyraminase inhibitors" RELATED [ChEBI] synonym: "tyramine oxidase inhibitor" RELATED [ChEBI] synonym: "tyramine oxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Monoamine_oxidase_inhibitor is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor [Term] id: CHEBI:38632 name: membrane transport modulator namespace: chebi_ontology def: "Any agent that affects the transport of molecular entities across a biological membrane." [] subset: 3_STAR synonym: "membrane transport modulators" RELATED [ChEBI] is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:38633 name: sodium channel blocker namespace: chebi_ontology def: "An agent that inhibits sodium influx through cell membranes." [] subset: 3_STAR synonym: "Na channel blocker" RELATED [ChEBI] synonym: "sodium channel blockers" RELATED [ChEBI] is_a: CHEBI:39000 ! sodium channel modulator [Term] id: CHEBI:38700 name: organic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic sodium salt" EXACT [ChEBI] synonym: "organic sodium salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt is_a: CHEBI:26714 ! sodium salt [Term] id: CHEBI:38716 name: carboxylic acid dianion namespace: chebi_ontology def: "Any dianion containing at least one carboxy group." [] subset: 3_STAR synonym: "carboxylic acid dianion" EXACT [ChEBI] synonym: "carboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:38793 name: pteroate namespace: chebi_ontology alt_id: CHEBI:37074 subset: 3_STAR is_a: CHEBI:38796 ! pteroates relationship: is_conjugate_base_of CHEBI:38794 ! pteroic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11N6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "311.276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "311.08926" xsd:string [Term] id: CHEBI:38794 name: pteroic acid namespace: chebi_ontology alt_id: CHEBI:26378 subset: 3_STAR synonym: "Pteroic acid" EXACT [ChemIDplus] synonym: "Pteroinsaeure" RELATED [ChEBI] xref: CAS:119-24-4 {source="ChemIDplus"} xref: DrugBank:DB04196 is_a: CHEBI:38795 ! pteroic acids relationship: is_conjugate_acid_of CHEBI:38793 ! pteroate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12N6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.09709" xsd:string [Term] id: CHEBI:38795 name: pteroic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:26375 ! pterins [Term] id: CHEBI:38796 name: pteroates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22494 ! aminobenzoate [Term] id: CHEBI:38808 name: calcium channel modulator namespace: chebi_ontology def: "A membrane transport modulator that is able to regulate intracellular calcium levels." [] subset: 3_STAR synonym: "calcium channel modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:38867 name: anaesthetic namespace: chebi_ontology def: "Substance which produces loss of feeling or sensation." [] subset: 3_STAR synonym: "anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "anaesthetics" RELATED [ChEBI] synonym: "Anaesthetika" RELATED [ChEBI] synonym: "Anaesthetikum" RELATED [ChEBI] synonym: "anesthetic agent" RELATED [ChEBI] synonym: "anesthetic drug" RELATED [ChEBI] synonym: "anesthetics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:38869 name: general anaesthetic namespace: chebi_ontology def: "Substance that produces loss of consciousness." [] subset: 3_STAR synonym: "Allgemeinanaesthetika" RELATED [ChEBI] synonym: "Allgemeinanaesthetikum" RELATED [ChEBI] synonym: "general anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "general anaesthetics" RELATED [ChEBI] synonym: "general anesthetics" RELATED [ChEBI] is_a: CHEBI:38867 ! anaesthetic [Term] id: CHEBI:38870 name: inhalation anaesthetic namespace: chebi_ontology subset: 3_STAR synonym: "anesthetic gases" RELATED [ChEBI] synonym: "inhalation anesthetics" RELATED [ChEBI] synonym: "Inhalationsanaesthetika" RELATED [ChEBI] synonym: "Inhalationsanaesthetikum" RELATED [ChEBI] synonym: "Inhalationsnarkotika" RELATED [ChEBI] synonym: "Inhalationsnarkotikum" RELATED [ChEBI] is_a: CHEBI:38869 ! general anaesthetic [Term] id: CHEBI:38877 name: intravenous anaesthetic namespace: chebi_ontology subset: 3_STAR synonym: "i.v.-Anaesthetika" RELATED [ChEBI] synonym: "i.v.-Anaesthetikum" RELATED [ChEBI] synonym: "intravenous anesthetics" RELATED [ChEBI] is_a: CHEBI:38869 ! general anaesthetic [Term] id: CHEBI:38925 name: benzopteridine namespace: chebi_ontology subset: 3_STAR synonym: "benzopteridines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38975 name: methylbenzene namespace: chebi_ontology def: "Any alkylbenzene that is benzene substituted with one or more methyl groups." [] subset: 3_STAR synonym: "methylbenzenes" RELATED [ChEBI] is_a: CHEBI:38976 ! alkylbenzene [Term] id: CHEBI:38976 name: alkylbenzene namespace: chebi_ontology def: "A monocyclic arene that is benzene substituted with one or more alkyl groups." [] subset: 3_STAR synonym: "alkylbenzene" EXACT [ChEBI] synonym: "alkylbenzenes" RELATED [ChEBI] synonym: "Alkylbenzol" RELATED [ChEBI] is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33847 ! monocyclic arene relationship: has_parent_hydride CHEBI:16716 ! benzene [Term] id: CHEBI:39000 name: sodium channel modulator namespace: chebi_ontology subset: 3_STAR synonym: "sodium channel modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:39123 name: calcium cation namespace: chebi_ontology subset: 3_STAR synonym: "calcium cation" EXACT [ChEBI] synonym: "calcium cations" RELATED [ChEBI] is_a: CHEBI:33513 ! alkaline earth cation is_a: CHEBI:39124 ! calcium ion property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96259" xsd:string [Term] id: CHEBI:39124 name: calcium ion namespace: chebi_ontology subset: 3_STAR synonym: "calcium ion" EXACT [ChEBI] synonym: "calcium ions" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:35155 ! elemental calcium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96259" xsd:string [Term] id: CHEBI:39141 name: Bronsted acid namespace: chebi_ontology def: "A molecular entity capable of donating a hydron to an acceptor (Bronsted base)." [] subset: 3_STAR synonym: "acide de Bronsted" RELATED [IUPAC] synonym: "Bronsted acid" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Saeure" RELATED [ChEBI] synonym: "donneur d'hydron" RELATED [IUPAC] synonym: "hydron donor" RELATED [IUPAC] is_a: CHEBI:17891 ! donor is_a: CHEBI:37527 ! acid [Term] id: CHEBI:39142 name: Bronsted base namespace: chebi_ontology def: "A molecular entity capable of accepting a hydron from a donor (Bronsted acid)." [] subset: 3_STAR synonym: "accepteur d'hydron" RELATED [IUPAC] synonym: "base de Bronsted" RELATED [IUPAC] synonym: "Bronsted base" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Base" RELATED [ChEBI] synonym: "hydron acceptor" RELATED [IUPAC] is_a: CHEBI:15339 ! acceptor is_a: CHEBI:22695 ! base [Term] id: CHEBI:39144 name: Lewis base namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "base de Lewis" RELATED [IUPAC] synonym: "donneur d'une paire d'electrons" RELATED [ChEBI] synonym: "electron donor" RELATED [ChEBI] synonym: "Lewis base" EXACT IUPAC_NAME [IUPAC] synonym: "Lewis-Base" RELATED [ChEBI] is_a: CHEBI:17891 ! donor is_a: CHEBI:22695 ! base [Term] id: CHEBI:39417 name: branched-chain saturated fatty acid namespace: chebi_ontology def: "Any saturated fatty acid with a carbon side-chain or isopropyl termination." [] subset: 3_STAR synonym: "branched saturated fatty acid" RELATED [ChEBI] synonym: "branched saturated fatty acids" RELATED [ChEBI] synonym: "branched-chain saturated fatty acid" EXACT [ChEBI] synonym: "branched-chain saturated fatty acids" RELATED [ChEBI] is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:35819 ! branched-chain fatty acid relationship: is_conjugate_acid_of CHEBI:58956 ! branched-chain saturated fatty acid anion [Term] id: CHEBI:39418 name: straight-chain saturated fatty acid namespace: chebi_ontology def: "Any saturated fatty acid lacking a side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid" EXACT [ChEBI] synonym: "straight-chain saturated fatty acids" RELATED [ChEBI] xref: PMID:15644336 {source="Europe PMC"} is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:59202 ! straight-chain fatty acid relationship: is_conjugate_acid_of CHEBI:58954 ! straight-chain saturated fatty acid anion [Term] id: CHEBI:39446 name: pyrimidine ribonucleosides namespace: chebi_ontology alt_id: CHEBI:13784 alt_id: CHEBI:26445 alt_id: CHEBI:7263 subset: 3_STAR is_a: CHEBI:18254 ! ribonucleoside is_a: CHEBI:26440 ! pyrimidine nucleoside [Term] id: CHEBI:39447 name: pyrimidines namespace: chebi_ontology alt_id: CHEBI:13681 alt_id: CHEBI:26448 def: "Any compound having a pyrimidine as part of its structure." [] subset: 3_STAR is_a: CHEBI:38313 ! diazines [Term] id: CHEBI:39456 name: antiglaucoma drug namespace: chebi_ontology def: "Any drug which can be used to prevent or alleviate glaucoma, a disease in which the optic nerve is damaged, resulting in progressive, irreversible loss of vision. It is often, though not always, associated with increased pressure of the fluid in the eye." [] subset: 3_STAR synonym: "anti-glaucoma agent" RELATED [ChEBI] synonym: "anti-glaucoma agents" RELATED [ChEBI] synonym: "anti-glaucoma drug" RELATED [ChEBI] synonym: "anti-glaucoma drugs" RELATED [ChEBI] synonym: "antiglaucoma agent" RELATED [ChEBI] synonym: "antiglaucoma drugs" RELATED [ChEBI] is_a: CHEBI:66981 ! ophthalmology drug [Term] id: CHEBI:39745 name: dihydrogenphosphate namespace: chebi_ontology alt_id: CHEBI:29137 alt_id: CHEBI:39739 def: "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated." [] subset: 3_STAR synonym: "[PO2(OH)2](-)" RELATED [IUPAC] synonym: "dihydrogen(tetraoxidophosphate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "DIHYDROGENPHOSPHATE ION" RELATED [PDBeChem] synonym: "dihydrogentetraoxophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2PO4(-)" RELATED [IUPAC] xref: DrugBank:DB02831 xref: Gmelin:1999 {source="Gmelin"} xref: PDBeChem:2HP is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:43474 ! hydrogenphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.98724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.96962" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP([O-])(=O)O[H]" xsd:string [Term] id: CHEBI:3992 name: cyclic ketone namespace: chebi_ontology subset: 3_STAR synonym: "Cyclic ketone" EXACT [KEGG_COMPOUND] synonym: "cyclic ketones" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02019 is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:41609 name: carbonate namespace: chebi_ontology alt_id: CHEBI:29201 alt_id: CHEBI:41605 subset: 3_STAR synonym: "[CO3](2-)" RELATED [IUPAC] synonym: "carbonate" EXACT [IUPAC] synonym: "CARBONATE ION" RELATED [PDBeChem] synonym: "CO3(2-)" RELATED [ChEBI] synonym: "Karbonat" RELATED [ChEBI] synonym: "trioxidocarbonate(2-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3600898 {source="Beilstein"} xref: CAS:3812-32-6 {source="ChemIDplus"} xref: Gmelin:1559 {source="Gmelin"} xref: PDBeChem:CO3 is_a: CHEBI:35604 ! carbon oxoanion relationship: is_conjugate_base_of CHEBI:17544 ! hydrogencarbonate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.00890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.98584" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([O-])=O" xsd:string [Term] id: CHEBI:42485 name: formyl group namespace: chebi_ontology alt_id: CHEBI:24089 alt_id: CHEBI:42480 subset: 3_STAR synonym: "-CH(O)" RELATED [IUPAC] synonym: "-CHO" RELATED [IUPAC] synonym: "aldehyde group" EXACT IUPAC_NAME [IUPAC] synonym: "carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Fo" RELATED [CBN] synonym: "formyl" EXACT IUPAC_NAME [IUPAC] synonym: "FORMYL GROUP" EXACT [PDBeChem] synonym: "H-CO-" RELATED [IUPAC] synonym: "methanoyl" RELATED [IUPAC] xref: PDBeChem:FOR is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:30751 ! formic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(*)=O" xsd:string [Term] id: CHEBI:43176 name: hydroxy group namespace: chebi_ontology alt_id: CHEBI:24706 alt_id: CHEBI:43171 subset: 3_STAR synonym: "-OH" RELATED [IUPAC] synonym: "hydroxy" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROXY GROUP" EXACT [PDBeChem] synonym: "hydroxy group" EXACT [UniProt] synonym: "hydroxyl" RELATED [ChEBI] synonym: "hydroxyl group" RELATED [ChEBI] xref: PDBeChem:OH is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.00734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*O[H]" xsd:string [Term] id: CHEBI:43254 name: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38337 ! pyrimidone relationship: is_tautomer_of CHEBI:17568 ! uracil [Term] id: CHEBI:43474 name: hydrogenphosphate namespace: chebi_ontology alt_id: CHEBI:29139 alt_id: CHEBI:43470 def: "A phosphate ion that is the conjugate base of dihydrogenphosphate." [] subset: 3_STAR synonym: "[P(OH)O3](2-)" RELATED [MolBase] synonym: "[PO3(OH)](2-)" RELATED [IUPAC] synonym: "HPO4(2-)" RELATED [IUPAC] synonym: "hydrogen phosphate" RELATED [ChEBI] synonym: "hydrogen(tetraoxidophosphate)(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROGENPHOSPHATE ION" RELATED [PDBeChem] synonym: "hydrogentetraoxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "INORGANIC PHOSPHATE GROUP" RELATED [PDBeChem] synonym: "phosphate" RELATED [UniProt] xref: Gmelin:1998 {source="Gmelin"} xref: MolBase:1628 xref: PDBeChem:PI xref: PDBeChem:PO4 is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_acid_of CHEBI:18367 ! phosphate(3-) relationship: is_conjugate_base_of CHEBI:39745 ! dihydrogenphosphate relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.97930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.96234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:43799 name: butan-1-amine namespace: chebi_ontology def: "A primary aliphatic amine that is butane substituted by an amino group at position 1." [] subset: 3_STAR synonym: "1-Aminobutan" RELATED [ChemIDplus] synonym: "1-aminobutane" RELATED [ChemIDplus] synonym: "1-butanamine" RELATED [NIST_Chemistry_WebBook] synonym: "1-butylamine" RELATED [NIST_Chemistry_WebBook] synonym: "butan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "butanamine" RELATED [NIST_Chemistry_WebBook] synonym: "BUTYLAMINE" RELATED [PDBeChem] synonym: "butylamine" RELATED [ChemIDplus] synonym: "mono-n-butylamine" RELATED [ChemIDplus] synonym: "monobutylamine" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butylamin" RELATED [ChemIDplus] synonym: "n-butylamine" RELATED [ChemIDplus] synonym: "n-C4H9NH2" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:605269 {source="Beilstein"} xref: CAS:109-73-9 {source="NIST Chemistry WebBook"} xref: CAS:109-73-9 {source="ChemIDplus"} xref: DrugBank:DB03659 xref: Gmelin:1784 {source="Gmelin"} xref: MetaCyc:BUTYLAMINE xref: PDBeChem:LYT xref: PMID:16387436 {source="Europe PMC"} xref: PMID:23470444 {source="Europe PMC"} xref: PMID:23734590 {source="Europe PMC"} xref: Reaxys:605269 {source="Reaxys"} xref: Wikipedia:N-Butylamine is_a: CHEBI:17062 ! primary aliphatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HQABUPZFAYXKJW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.13680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCN" xsd:string [Term] id: CHEBI:45557 name: sec-butyl group namespace: chebi_ontology alt_id: CHEBI:30352 alt_id: CHEBI:45554 subset: 3_STAR synonym: "-CH(CH3)-CH2-CH3" RELATED [ChEBI] synonym: "1-methylpropyl" EXACT IUPAC_NAME [IUPAC] synonym: "but-2-yl" RELATED [ChEBI] synonym: "butan-2-ido" EXACT IUPAC_NAME [IUPAC] synonym: "butan-2-yl" EXACT IUPAC_NAME [IUPAC] synonym: "CH3-CH2-CH(CH3)-" RELATED [IUPAC] synonym: "isoleucine side-chain" RELATED [ChEBI] synonym: "s-butyl" RELATED [ChEBI] synonym: "sec-butyl" EXACT IUPAC_NAME [IUPAC] synonym: "SEC-BUTYL GROUP" EXACT [PDBeChem] xref: PDBeChem:NBU is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:37808 ! butane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.11426" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.07043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(*)CC" xsd:string [Term] id: CHEBI:45696 name: hydrogensulfate namespace: chebi_ontology alt_id: CHEBI:29199 alt_id: CHEBI:45693 subset: 3_STAR synonym: "[SO3(OH)](-)" RELATED [IUPAC] synonym: "HSO4(-)" RELATED [IUPAC] synonym: "HYDROGEN SULFATE" RELATED [PDBeChem] synonym: "hydrogen(tetraoxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfate" EXACT [IUPAC] synonym: "hydrogensulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:2121 {source="Gmelin"} is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_acid_of CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:26836 ! sulfuric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "97.07154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.96010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OS([O-])(=O)=O" xsd:string [Term] id: CHEBI:46245 name: coenzyme Q10 namespace: chebi_ontology alt_id: CHEBI:46241 alt_id: CHEBI:9854 def: "A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration." [] subset: 3_STAR synonym: "2-((all-E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-p-benzoquinone" RELATED [ChemIDplus] synonym: "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone" RELATED [ChEBI] synonym: "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Adelir" RELATED [KEGG_DRUG] synonym: "all-trans-ubiquinone" RELATED [ChEBI] synonym: "Coenzyme Q10" EXACT [KEGG_COMPOUND] synonym: "coenzyme Q10" EXACT [ChemIDplus] synonym: "CoQ" RELATED [ChEBI] synonym: "CoQ10" RELATED [ChEBI] synonym: "Q" RELATED [ChEBI] synonym: "Q 199" RELATED [ChemIDplus] synonym: "Q10" RELATED [ChEBI] synonym: "Ubidecarenone" RELATED [KEGG_COMPOUND] synonym: "ubiquinone" RELATED [ChEBI] synonym: "ubiquinone 10" RELATED [ChemIDplus] synonym: "ubiquinone 50" RELATED [ChemIDplus] synonym: "UBIQUINONE-10" RELATED [PDBeChem] synonym: "Ubiquinone-10" RELATED [KEGG_COMPOUND] synonym: "ubiquinone-10" RELATED [UniProt] xref: Beilstein:1900141 {source="Beilstein"} xref: CAS:303-98-0 {source="ChemIDplus"} xref: CAS:303-98-0 {source="NIST Chemistry WebBook"} xref: Chemspider:4445197 xref: Drug_Central:4607 {source="DrugCentral"} xref: FooDB:FDB013228 xref: HMDB:HMDB0001072 xref: KEGG:C11378 xref: KEGG:D01065 xref: KNApSAcK:C00002866 xref: LIPID_MAPS_instance:LMPR02010001 {source="LIPID MAPS"} xref: MetaCyc:UBIQUINONE-10 xref: PDBeChem:U10 xref: PMID:10953455 {source="Europe PMC"} xref: PMID:13445756 {source="Europe PMC"} xref: PMID:17192765 {source="Europe PMC"} xref: PMID:17605305 {source="Europe PMC"} xref: PMID:18787645 {source="Europe PMC"} xref: PMID:18843432 {source="Europe PMC"} xref: PMID:20367194 {source="Europe PMC"} xref: PMID:25544601 {source="Europe PMC"} xref: PMID:26741866 {source="Europe PMC"} xref: PMID:27012265 {source="Europe PMC"} xref: PMID:7599208 {source="Europe PMC"} xref: PMID:7718355 {source="Europe PMC"} xref: Reaxys:1900141 {source="Reaxys"} xref: Wikipedia:Coenzyme_Q10 is_a: CHEBI:16389 ! ubiquinones relationship: RO:0000087 CHEBI:173084 ! has role ferroptosis inhibitor relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C59H90O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ACTIUHUUMQJHFO-UPTCCGCDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "863.34350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "862.68391" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC1=C(OC)C(=O)C(C\\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(C)C1=O" xsd:string [Term] id: CHEBI:46629 name: oxo group namespace: chebi_ontology alt_id: CHEBI:29353 alt_id: CHEBI:44607 subset: 3_STAR synonym: "=O" RELATED [IUPAC] synonym: "oxo" EXACT IUPAC_NAME [IUPAC] synonym: "OXO GROUP" EXACT [PDBeChem] xref: PDBeChem:O is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=*" xsd:string [Term] id: CHEBI:46662 name: mineral namespace: chebi_ontology def: "In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals')." [] subset: 3_STAR synonym: "mineral" EXACT [ChEBI] synonym: "Minerale" RELATED [ChEBI] synonym: "minerales" RELATED [ChEBI] synonym: "minerals" RELATED [ChEBI] synonym: "mineraux" RELATED [ChEBI] xref: Wikipedia:Mineral is_a: CHEBI:59999 ! chemical substance [Term] id: CHEBI:46691 name: 2,3-dihydroxy-5-methyl-1,4-benzoquinone namespace: chebi_ontology subset: 3_STAR synonym: "2,3-dihydroxy-5-methylcyclohexa-2,5-diene-1,4-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2254950 {source="Beilstein"} is_a: CHEBI:132124 ! 1,4-benzoquinones relationship: has_functional_parent CHEBI:81667 ! 2-hydroxy-5-methylquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,10-11H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUPLFIFGNDSGBB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.12014" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.02661" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC(=O)C(O)=C(O)C1=O" xsd:string [Term] id: CHEBI:46721 name: carbonate salt namespace: chebi_ontology subset: 3_STAR synonym: "carbonate salts" RELATED [ChEBI] is_a: CHEBI:23016 ! carbonates relationship: has_part CHEBI:41609 ! carbonate [Term] id: CHEBI:46723 name: phosphate mineral namespace: chebi_ontology subset: 3_STAR synonym: "phosphate minerals" RELATED [ChEBI] is_a: CHEBI:46662 ! mineral [Term] id: CHEBI:46787 name: solvent namespace: chebi_ontology def: "A liquid that can dissolve other substances (solutes) without any change in their chemical composition." [] subset: 3_STAR synonym: "Loesungsmittel" RELATED [ChEBI] synonym: "solvant" RELATED [ChEBI] synonym: "solvents" RELATED [ChEBI] xref: Wikipedia:Solvent is_a: CHEBI:33232 ! application is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:46883 name: carboxy group namespace: chebi_ontology alt_id: CHEBI:23025 alt_id: CHEBI:41420 subset: 3_STAR synonym: "-C(O)OH" RELATED [IUPAC] synonym: "-CO2H" RELATED [ChEBI] synonym: "-COOH" RELATED [IUPAC] synonym: "carboxy" EXACT IUPAC_NAME [IUPAC] synonym: "CARBOXY GROUP" EXACT [PDBeChem] synonym: "carboxyl group" RELATED [ChEBI] xref: PDBeChem:FMT is_a: CHEBI:33249 ! organyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(=O)O" xsd:string [Term] id: CHEBI:46904 name: oxalate(1-) namespace: chebi_ontology def: "A dicarboxylic acid monoanion that is the conjugate base of oxalic acid." [] subset: 3_STAR synonym: "carboxyformate" EXACT IUPAC_NAME [IUPAC] synonym: "Hox" RELATED [IUPAC] synonym: "hydrogen ethanedioate" RELATED [IUPAC] synonym: "hydrogen oxalate" RELATED [ChEBI] xref: Beilstein:3601755 {source="Beilstein"} xref: Gmelin:49515 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132952 ! oxalate is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:30623 ! oxalate(2-) relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.02694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.98803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C([O-])=O" xsd:string [Term] id: CHEBI:46905 name: (R)-pantothenic acid namespace: chebi_ontology alt_id: CHEBI:18701 alt_id: CHEBI:44679 def: "A pantothenic acid having R-configuration." [] subset: 3_STAR synonym: "(+)-Pantothenic acid" RELATED [HMDB] synonym: "(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine" RELATED [ChemIDplus] synonym: "3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "chick antidermatitis factor" RELATED [ChemIDplus] synonym: "D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine" RELATED [ChemIDplus] synonym: "D-(+)-pantothenic acid" RELATED [ChEBI] synonym: "D-pantothenic acid" RELATED [ChemIDplus] synonym: "N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine" RELATED [PDBeChem] synonym: "Pantothenic acid" RELATED [KEGG_COMPOUND] synonym: "PANTOTHENOIC ACID" RELATED [PDBeChem] synonym: "vitamin B5" RELATED [ChemIDplus] xref: Beilstein:1727064 {source="ChemIDplus"} xref: CAS:79-83-4 {source="ChemIDplus"} xref: CAS:79-83-4 {source="NIST Chemistry WebBook"} xref: Drug_Central:2055 {source="DrugCentral"} xref: DrugBank:DB01783 xref: FooDB:FDB008322 xref: HMDB:HMDB0000210 xref: KEGG:C00864 xref: KEGG:D07413 xref: KNApSAcK:C00001550 xref: MetaCyc:PANTOTHENATE xref: PDBeChem:PAU xref: PMID:12664639 {source="Europe PMC"} xref: PMID:13614445 {source="Europe PMC"} xref: PMID:14675432 {source="Europe PMC"} xref: PMID:15065769 {source="Europe PMC"} xref: PMID:15136582 {source="Europe PMC"} xref: PMID:15912738 {source="Europe PMC"} xref: PMID:16042590 {source="Europe PMC"} xref: PMID:17023940 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17913047 {source="Europe PMC"} xref: PMID:18186650 {source="Europe PMC"} xref: PMID:19307712 {source="Europe PMC"} xref: PMID:19959891 {source="Europe PMC"} xref: PMID:20451532 {source="Europe PMC"} xref: PMID:21904030 {source="Europe PMC"} xref: PMID:22052867 {source="Europe PMC"} xref: PMID:22468352 {source="Europe PMC"} xref: PMID:23727638 {source="Europe PMC"} xref: PMID:27555321 {source="Europe PMC"} xref: PMID:32416962 {source="Europe PMC"} xref: PMID:32979277 {source="Europe PMC"} xref: PMID:5352084 {source="Europe PMC"} xref: Reaxys:1727064 {source="Reaxys"} xref: Wikipedia:Pantothenic_Acid is_a: CHEBI:176840 ! vitamin B5 is_a: CHEBI:7916 ! pantothenic acid relationship: is_conjugate_acid_of CHEBI:29032 ! (R)-pantothenate relationship: RO:0000087 CHEBI:176497 ! has role geroprotector relationship: RO:0000087 CHEBI:74530 ! has role antidote to curare poisoning relationship: RO:0000087 CHEBI:85234 ! has role human blood serum metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-ZETCQYMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "219.23502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.11067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O" xsd:string [Term] id: CHEBI:46912 name: ornithinium(1+) namespace: chebi_ontology subset: 3_STAR synonym: "2,5-diammoniopentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "ornithine monocation" RELATED [JCBN] synonym: "ornithinium" EXACT IUPAC_NAME [IUPAC] synonym: "ornithinium(1+)" EXACT [JCBN] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:18257 ! ornithine relationship: is_conjugate_base_of CHEBI:46913 ! ornithinium(2+) relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H13N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHLPHDHHMVZTML-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.16900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.09715" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:46913 name: ornithinium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxybutane-1,4-diaminium" EXACT IUPAC_NAME [IUPAC] synonym: "ornithine dication" RELATED [JCBN] synonym: "ornithinediium" EXACT IUPAC_NAME [IUPAC] synonym: "ornithinium(2+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:46912 ! ornithinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHLPHDHHMVZTML-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.17694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.10443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:47017 name: tetrahydrofuranol namespace: chebi_ontology subset: 3_STAR synonym: "tetrahydrofuranols" RELATED [ChEBI] is_a: CHEBI:26912 ! oxolanes [Term] id: CHEBI:47019 name: dihydroxytetrahydrofuran namespace: chebi_ontology subset: 3_STAR synonym: "dihydroxytetrahydrofurans" RELATED [ChEBI] is_a: CHEBI:47017 ! tetrahydrofuranol [Term] id: CHEBI:47778 name: glyceride namespace: chebi_ontology alt_id: CHEBI:13730 alt_id: CHEBI:22230 def: "Any ester resulting from the condensation of one or more of the hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids." [] subset: 3_STAR synonym: "acylglycerols" RELATED [ChEBI] synonym: "glyceride" EXACT [ChEBI] synonym: "glycerides" EXACT IUPAC_NAME [IUPAC] synonym: "glycerides" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:35741 ! glycerolipid [Term] id: CHEBI:47811 name: penamcarboxylate namespace: chebi_ontology subset: 3_STAR synonym: "penamcarboxylates" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:35992 ! penams [Term] id: CHEBI:47857 name: ureas namespace: chebi_ontology alt_id: CHEBI:27220 alt_id: CHEBI:36947 subset: 3_STAR synonym: "urea derivatives" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide relationship: has_functional_parent CHEBI:16199 ! urea [Term] id: CHEBI:47868 name: photosensitizing agent namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "photosensitising agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:47882 name: cyclic polypyrrole namespace: chebi_ontology subset: 3_STAR synonym: "cyclic polypyrroles" RELATED [ChEBI] synonym: "macrocyclic polypyrroles" EXACT IUPAC_NAME [IUPAC] synonym: "polypyrrole macrocycles" RELATED [ChEBI] is_a: CHEBI:38077 ! polypyrrole [Term] id: CHEBI:47891 name: steroid acid namespace: chebi_ontology def: "Any steroid substituted by at least one carboxy group." [] subset: 3_STAR synonym: "steroid acids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:64709 ! organic acid relationship: is_conjugate_acid_of CHEBI:50160 ! steroid acid anion [Term] id: CHEBI:47958 name: nicotinic acetylcholine receptor agonist namespace: chebi_ontology alt_id: CHEBI:82738 def: "An agonist that selectively binds to and activates a nicotinic acetylcholine receptor." [] subset: 3_STAR synonym: "muscarinic agonists" RELATED [ChEBI] synonym: "nicotinic acetylcholine receptor agonists" RELATED [ChEBI] synonym: "nicotinic agonist" RELATED [ChEBI] synonym: "nicotinic agonists" RELATED [ChEBI] xref: Wikipedia:Nicotinic_acetylcholine_receptor is_a: CHEBI:38324 ! cholinergic agonist [Term] id: CHEBI:48001 name: protein synthesis inhibitor namespace: chebi_ontology def: "A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein." [] subset: 3_STAR synonym: "protein synthesis antagonist" RELATED [ChEBI] synonym: "protein synthesis antagonists" RELATED [ChEBI] synonym: "protein synthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:48154 name: sulfur oxide namespace: chebi_ontology subset: 3_STAR synonym: "oxides of sulfur" RELATED [ChEBI] synonym: "Schwefeloxide" RELATED [ChEBI] synonym: "sulfur oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:48278 name: serotonergic drug namespace: chebi_ontology subset: 3_STAR synonym: "serotonergic agents" RELATED [ChEBI] synonym: "serotonergic drugs" RELATED [ChEBI] synonym: "serotonin drugs" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:48354 name: polar solvent namespace: chebi_ontology def: "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds." [] subset: 3_STAR synonym: "polar solvent" EXACT IUPAC_NAME [IUPAC] synonym: "polar solvents" RELATED [ChEBI] is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48355 name: non-polar solvent namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48356 name: protic solvent namespace: chebi_ontology def: "A polar solvent that is capable of acting as a hydron (proton) donor." [] subset: 3_STAR synonym: "protogenic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39141 ! Bronsted acid is_a: CHEBI:48354 ! polar solvent [Term] id: CHEBI:48359 name: protophilic solvent namespace: chebi_ontology def: "Solvent that is capable of acting as a hydron (proton) acceptor." [] subset: 3_STAR synonym: "HBA solvent" RELATED [ChEBI] synonym: "hydrogen bond acceptor solvent" RELATED [ChEBI] synonym: "protophilic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39142 ! Bronsted base is_a: CHEBI:48354 ! polar solvent [Term] id: CHEBI:48360 name: amphiprotic solvent namespace: chebi_ontology def: "Self-ionizing solvent possessing both characteristics of Bronsted acids and bases." [] subset: 3_STAR synonym: "amphiprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48356 ! protic solvent is_a: CHEBI:48359 ! protophilic solvent [Term] id: CHEBI:48376 name: carbamimidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carbamimic acid" RELATED [ChemIDplus] synonym: "carbamimidic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carbonamidimidic acid" RELATED [IUPAC] synonym: "H2N-C(=NH)-OH" RELATED [IUPAC] synonym: "H2N-C(OH)=NH" RELATED [IUPAC] synonym: "HO-C(=NH)-NH2" RELATED [IUPAC] synonym: "Isoharnstoff" RELATED [ChEBI] synonym: "isourea" RELATED [ChemIDplus] synonym: "pseudourea" RELATED [ChemIDplus] xref: Beilstein:773698 {source="Beilstein"} xref: CAS:4744-36-9 {source="ChemIDplus"} is_a: CHEBI:48379 ! isourea is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:16199 ! urea property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05534" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.03236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(O)=N" xsd:string [Term] id: CHEBI:48377 name: imidic acid namespace: chebi_ontology def: "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH)." [] subset: 3_STAR synonym: "imidic acid" EXACT [ChEBI] synonym: "imidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "imidic acids" RELATED [ChEBI] synonym: "imino acids" RELATED [IUPAC] is_a: CHEBI:33241 ! oxoacid derivative is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:48378 name: carboximidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carboximidic acid" EXACT [ChEBI] synonym: "carboximidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "carboximidic acids" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:48377 ! imidic acid [Term] id: CHEBI:48379 name: isourea namespace: chebi_ontology def: "A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives." [] subset: 3_STAR synonym: "isoureas" EXACT IUPAC_NAME [IUPAC] synonym: "isoureas" RELATED [ChEBI] is_a: CHEBI:48378 ! carboximidic acid [Term] id: CHEBI:48407 name: antiparkinson drug namespace: chebi_ontology def: "A drug used in the treatment of Parkinson's disease." [] subset: 3_STAR synonym: "antiparkinson agent" RELATED [ChEBI] xref: Wikipedia:Antiparkinson is_a: CHEBI:66956 ! antidyskinesia agent [Term] id: CHEBI:48422 name: angiogenesis inhibitor namespace: chebi_ontology alt_id: CHEBI:67170 def: "An agent and endogenous substances that antagonize or inhibit the development of new blood vessels." [] subset: 3_STAR synonym: "angiogenesis antagonist" RELATED [ChEBI] synonym: "angiostatic agents" RELATED [ChEBI] synonym: "anti-angiogenic agent" RELATED [ChEBI] xref: Wikipedia:Angiogenesis_inhibitor is_a: CHEBI:23888 ! drug [Term] id: CHEBI:48425 name: topical anaesthetic namespace: chebi_ontology def: "A local anesthetic that is used to numb the surface of a body part." [] subset: 3_STAR synonym: "topical anaesthetics" RELATED [ChEBI] synonym: "topical anesthetic" RELATED [ChEBI] is_a: CHEBI:36333 ! local anaesthetic [Term] id: CHEBI:48539 name: alpha-adrenergic drug namespace: chebi_ontology def: "Any drug that acts on an alpha-adrenergic receptor." [] subset: 3_STAR synonym: "alpha-adrenergic drugs" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:48540 name: beta-adrenergic drug namespace: chebi_ontology def: "Any of the drugs that act on beta-adrenergic receptors." [] subset: 3_STAR synonym: "beta-adrenergic drugs" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:48560 name: dopaminergic agent namespace: chebi_ontology def: "A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons." [] subset: 3_STAR synonym: "dopamine agent" RELATED [ChEBI] synonym: "dopamine agents" RELATED [ChEBI] synonym: "dopamine drug" RELATED [ChEBI] synonym: "dopamine drugs" RELATED [ChEBI] synonym: "dopaminergic agents" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:48561 name: dopaminergic antagonist namespace: chebi_ontology def: "A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists." [] subset: 3_STAR synonym: "dopamine antagonist" RELATED [ChEBI] synonym: "dopamine blocker" RELATED [ChEBI] synonym: "dopamine receptor antagonist" RELATED [ChEBI] synonym: "dopaminergic antagonists" RELATED [ChEBI] is_a: CHEBI:48560 ! dopaminergic agent is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:48578 name: radical scavenger namespace: chebi_ontology def: "A role played by a substance that can react readily with, and thereby eliminate, radicals." [] subset: 3_STAR synonym: "free radical scavengers" RELATED [ChEBI] synonym: "free-radical scavenger" RELATED [ChEBI] is_a: CHEBI:22586 ! antioxidant [Term] id: CHEBI:48705 name: agonist namespace: chebi_ontology def: "Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own." [] subset: 3_STAR synonym: "agonist" EXACT IUPAC_NAME [IUPAC] synonym: "agonista" RELATED [ChEBI] synonym: "agoniste" RELATED [ChEBI] synonym: "agonists" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:48706 name: antagonist namespace: chebi_ontology def: "Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances." [] subset: 3_STAR synonym: "antagonist" EXACT IUPAC_NAME [IUPAC] synonym: "antagonista" RELATED [ChEBI] synonym: "antagoniste" RELATED [ChEBI] synonym: "antagonists" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:48854 name: sulfurous acid namespace: chebi_ontology alt_id: CHEBI:26837 alt_id: CHEBI:9344 subset: 3_STAR synonym: "[SO(OH)2]" RELATED [IUPAC] synonym: "acide sulfureux" RELATED [ChEBI] synonym: "acido sulfuroso" RELATED [ChEBI] synonym: "dihydrogen trioxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidooxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2SO3" RELATED [IUPAC] synonym: "S(O)(OH)2" RELATED [IUPAC] synonym: "schweflige Saeure" RELATED [ChemIDplus] synonym: "Sulfite" RELATED [KEGG_COMPOUND] synonym: "Sulfurous acid" EXACT [KEGG_COMPOUND] synonym: "sulfurous acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulphurous acid" RELATED [ChemIDplus] synonym: "trioxosulfuric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7782-99-2 {source="ChemIDplus"} xref: Gmelin:1458 {source="Gmelin"} xref: KEGG:C00094 xref: KNApSAcK:C00019662 xref: PDBeChem:SO3 xref: UM-BBD_compID:c0348 {source="UM-BBD"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:17137 ! hydrogensulfite relationship: is_tautomer_of CHEBI:29214 ! sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "82.08008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.97247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(O)=O" xsd:string [Term] id: CHEBI:48873 name: cholinergic antagonist namespace: chebi_ontology def: "Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists." [] subset: 3_STAR synonym: "acetylcholine antagonists" RELATED [ChEBI] synonym: "acetylcholine receptor antagonist" RELATED [IUPHAR] synonym: "agent anticholinergique" RELATED [ChEBI] synonym: "agente anticolinergico" RELATED [ChEBI] synonym: "agentes anticolinergicos" RELATED [ChEBI] synonym: "anticholinergic agents" RELATED [ChEBI] synonym: "anticholinergics" RELATED [ChEBI] synonym: "Anticholinergika" RELATED [ChEBI] synonym: "Anticholinergikum" RELATED [ChEBI] synonym: "anticholinergiques" RELATED [ChEBI] synonym: "anticolinergicos" RELATED [ChEBI] synonym: "cholinergic-blocking agents" RELATED [ChEBI] is_a: CHEBI:38323 ! cholinergic drug [Term] id: CHEBI:48876 name: muscarinic antagonist namespace: chebi_ontology def: "A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists." [] subset: 3_STAR synonym: "agente antimuscarinico" RELATED [ChEBI] synonym: "agentes antimuscarinicos" RELATED [ChEBI] synonym: "agents antimuscariniques" RELATED [ChEBI] synonym: "antimuscarinic agents" RELATED [ChEBI] synonym: "antimuscarinicos" RELATED [ChEBI] synonym: "Antimuskarinika" RELATED [ChEBI] synonym: "Antimuskarinikum" RELATED [ChEBI] synonym: "muscarinic acetylcholine receptor antagonist" RELATED [ChEBI] synonym: "muscarinic antagonists" RELATED [ChEBI] is_a: CHEBI:48873 ! cholinergic antagonist [Term] id: CHEBI:48878 name: nicotinic antagonist namespace: chebi_ontology def: "An antagonist at the nicotinic cholinergic receptor." [] subset: 3_STAR synonym: "agente antinicotinico" RELATED [ChEBI] synonym: "agentes antinicotinicos" RELATED [ChEBI] synonym: "agents antinicotiniques" RELATED [ChEBI] synonym: "antinicotinicos" RELATED [ChEBI] synonym: "nicotinic acetylcholine receptor antagonist" RELATED [ChEBI] synonym: "nicotinic acetylcholine receptor antagonists" RELATED [ChEBI] synonym: "nicotinic antagonists" RELATED [ChEBI] synonym: "nicotinic cholinergic antagonist" RELATED [ChEBI] synonym: "nicotinic cholinergic antagonists" RELATED [ChEBI] xref: Wikipedia:Nicotinic_antagonist is_a: CHEBI:48873 ! cholinergic antagonist [Term] id: CHEBI:48901 name: thiazoles namespace: chebi_ontology def: "An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom." [] subset: 3_STAR synonym: "thiazole" RELATED [ChEBI] is_a: CHEBI:38106 ! organosulfur heterocyclic compound is_a: CHEBI:68452 ! azole [Term] id: CHEBI:48927 name: N-acyl-L-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:13240 alt_id: CHEBI:7232 def: "Any L-alpha-amino acid carrying an N-acyl substituent." [] subset: 3_STAR synonym: "N-Acyl-L-amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C02850 is_a: CHEBI:21644 ! N-acyl-L-amino acid relationship: has_functional_parent CHEBI:15705 ! L-alpha-amino acid relationship: is_conjugate_acid_of CHEBI:59874 ! N-acyl-L-alpha-amino acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.061" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.01129" xsd:string [Term] id: CHEBI:48937 name: phytane namespace: chebi_ontology subset: 3_STAR synonym: "2,6,10,14-tetramethylhexadecane" EXACT IUPAC_NAME [IUPAC] synonym: "Phytan" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1744639 {source="Beilstein"} xref: CAS:638-36-8 {source="NIST Chemistry WebBook"} is_a: CHEBI:35190 ! diterpene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H42" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GGYKPYDKXLHNTI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.54748" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.32865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)CCCC(C)CCCC(C)CCCC(C)C" xsd:string [Term] id: CHEBI:49020 name: hormone antagonist namespace: chebi_ontology def: "A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." [] subset: 3_STAR synonym: "hormone antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:49095 name: beta-amino-acid anion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37022 ! amino-acid anion [Term] id: CHEBI:49103 name: drug metabolite namespace: chebi_ontology subset: 3_STAR synonym: "drug metabolites" RELATED [ChEBI] is_a: CHEBI:76967 ! human xenobiotic metabolite [Term] id: CHEBI:49104 name: heteroarenecarbaldehyde namespace: chebi_ontology def: "An aldehyde in which a formyl group is located on a heteroarene." [] subset: 3_STAR is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:49159 name: leukotriene antagonist namespace: chebi_ontology def: "A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level." [] subset: 3_STAR synonym: "leukotriene antagonists" RELATED [ChEBI] synonym: "leukotriene receptor antagonist" RELATED [ChEBI] synonym: "leukotriene receptor antagonists" RELATED [ChEBI] synonym: "LTRA" RELATED [DrugBank] is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:49167 name: anti-asthmatic drug namespace: chebi_ontology def: "A drug used to treat asthma." [] subset: 3_STAR synonym: "anti-asthmatic agent" RELATED [ChEBI] synonym: "anti-asthmatic agents" RELATED [ChEBI] synonym: "anti-asthmatic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:65023 ! anti-asthmatic agent [Term] id: CHEBI:49201 name: anti-ulcer drug namespace: chebi_ontology def: "One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract." [] subset: 3_STAR synonym: "anti-ulcer agent" RELATED [ChEBI] synonym: "anti-ulcer agents" RELATED [ChEBI] synonym: "anti-ulcer drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:49637 name: hydrogen atom namespace: chebi_ontology alt_id: CHEBI:24634 alt_id: CHEBI:49636 subset: 3_STAR synonym: "1H" RELATED [IUPAC] synonym: "H" RELATED [IUPAC] synonym: "hidrogeno" RELATED [ChEBI] synonym: "hydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen" RELATED [ChEBI] synonym: "hydrogene" RELATED [ChEBI] synonym: "Wasserstoff" RELATED [ChEBI] xref: WebElements:H is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33559 ! s-block element atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZCKVEUIGOORGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1.00794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]" xsd:string [Term] id: CHEBI:50047 name: organic amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "organic amino compounds" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35352 ! organonitrogen compound relationship: has_parent_hydride CHEBI:16134 ! ammonia relationship: RO:0000087 CHEBI:39142 ! has role Bronsted base [Term] id: CHEBI:50103 name: excitatory amino acid agonist namespace: chebi_ontology def: "An agent that binds to and activates excitatory amino acid receptors." [] subset: 3_STAR synonym: "excitatory amino acid agonists" RELATED [ChEBI] synonym: "excitatory amino acid receptor agonist" RELATED [ChEBI] synonym: "excitatory amino acid receptor agonists" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:50144 name: sodium pyruvate namespace: chebi_ontology subset: 3_STAR synonym: "Natriumpyruvat" RELATED [ChEBI] synonym: "pyruvic acid, sodium salt" RELATED [ChemIDplus] synonym: "sodium 2-oxopropanoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3568341 {source="Beilstein"} xref: CAS:113-24-6 {source="ChemIDplus"} xref: Gmelin:97013 {source="Gmelin"} is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:15361 ! pyruvate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DAEPDZWVDSPTHF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.04389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].CC(=O)C([O-])=O" xsd:string [Term] id: CHEBI:50160 name: steroid acid anion namespace: chebi_ontology def: "Any anion formed by loss of a proton from a steroid acid." [] subset: 3_STAR synonym: "steroid acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:47891 ! steroid acid [Term] id: CHEBI:50177 name: dermatologic drug namespace: chebi_ontology def: "A drug used to treat or prevent skin disorders or for the routine care of skin." [] subset: 3_STAR synonym: "dermatologic agent" RELATED [ChEBI] synonym: "dermatologic drugs" RELATED [ChEBI] synonym: "dermatological agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50188 name: provitamin namespace: chebi_ontology def: "A substance that can be converted into a vitamin by animal tissues." [] subset: 3_STAR synonym: "provitamins" RELATED [ChEBI] xref: Wikipedia:Provitamin is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:50247 name: antidote namespace: chebi_ontology def: "Any protective agent counteracting or neutralizing the action of poisons." [] subset: 3_STAR synonym: "antidotes" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:50248 name: hematologic agent namespace: chebi_ontology def: "Drug that acts on blood and blood-forming organs and those that affect the hemostatic system." [] subset: 3_STAR synonym: "hematologic agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50249 name: anticoagulant namespace: chebi_ontology def: "An agent that prevents blood clotting." [] subset: 3_STAR synonym: "anticoagulante" RELATED [ChEBI] synonym: "anticoagulants" RELATED [ChEBI] is_a: CHEBI:50248 ! hematologic agent [Term] id: CHEBI:50266 name: prodrug namespace: chebi_ontology def: "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug." [] subset: 3_STAR synonym: "Prodrugs" RELATED [ChEBI] xref: PMID:23993918 {source="Europe PMC"} xref: PMID:23998799 {source="Europe PMC"} xref: PMID:24329110 {source="Europe PMC"} xref: PMID:24628402 {source="Europe PMC"} xref: PMID:24709544 {source="Europe PMC"} xref: PMID:25144792 {source="Europe PMC"} xref: PMID:25157234 {source="Europe PMC"} xref: PMID:25269430 {source="Europe PMC"} xref: PMID:25391982 {source="Europe PMC"} xref: PMID:25591121 {source="Europe PMC"} xref: PMID:25620096 {source="Europe PMC"} xref: PMID:25795057 {source="Europe PMC"} xref: PMID:26028253 {source="Europe PMC"} xref: PMID:26184144 {source="Europe PMC"} xref: PMID:28070577 {source="Europe PMC"} xref: PMID:28215138 {source="Europe PMC"} xref: PMID:28219047 {source="Europe PMC"} xref: PMID:28259775 {source="Europe PMC"} xref: PMID:28319647 {source="Europe PMC"} xref: PMID:28329729 {source="Europe PMC"} xref: PMID:28334528 {source="Europe PMC"} xref: Wikipedia:Prodrug is_a: CHEBI:136859 ! pro-agent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50267 name: protective agent namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "chemoprotectant" RELATED [ChEBI] synonym: "chemoprotectants" RELATED [ChEBI] synonym: "chemoprotective agent" RELATED [ChEBI] synonym: "chemoprotective agents" RELATED [ChEBI] synonym: "protective agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50268 name: GABA modulator namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "GABA modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:50312 name: onium compound namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:50313 name: onium cation namespace: chebi_ontology def: "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families." [] subset: 3_STAR synonym: "onium cations" EXACT IUPAC_NAME [IUPAC] synonym: "onium cations" RELATED [ChEBI] synonym: "onium ion" RELATED [ChEBI] synonym: "onium ions" RELATED [ChEBI] is_a: CHEBI:50312 ! onium compound [Term] id: CHEBI:50314 name: fluoronium namespace: chebi_ontology subset: 3_STAR synonym: "[FH2](+)" RELATED [ChEBI] synonym: "fluoranium" EXACT IUPAC_NAME [IUPAC] synonym: "fluoronium" EXACT IUPAC_NAME [IUPAC] synonym: "H2F(+)" RELATED [IUPAC] is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:29228 ! hydrogen fluoride property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH2/h1H2/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNESUKSMQODWNS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "21.01428" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "21.01350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][F+][H]" xsd:string [Term] id: CHEBI:50325 name: proteinogenic amino-acid side-chain group namespace: chebi_ontology def: "A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid." [] subset: 3_STAR synonym: "canonical amino-acid side-chain" RELATED [ChEBI] synonym: "canonical amino-acid side-chains" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chain" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chain groups" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chains" RELATED [ChEBI] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:50326 name: sulfanylmethyl group namespace: chebi_ontology subset: 3_STAR synonym: "-CH2-SH" RELATED [IUPAC] synonym: "cysteine side-chain" RELATED [ChEBI] synonym: "HS-CH2-" RELATED [IUPAC] synonym: "sulfanylmethyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.10052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.99555" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "SC*" xsd:string [Term] id: CHEBI:50329 name: 2-carboxyethyl group namespace: chebi_ontology subset: 3_STAR synonym: "2-carboxyethyl" EXACT IUPAC_NAME [IUPAC] synonym: "glutamic acid side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CC(=O)O)*" xsd:string [Term] id: CHEBI:50334 name: pyridinium ion namespace: chebi_ontology subset: 3_STAR synonym: "pyridinium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation [Term] id: CHEBI:50336 name: 4-hydroxybenzyl group namespace: chebi_ontology subset: 3_STAR synonym: "4-hydroxybenzyl" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.12988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.04969" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C*)C=CC(=C1)O" xsd:string [Term] id: CHEBI:50339 name: 4-aminobutyl group namespace: chebi_ontology subset: 3_STAR synonym: "4-aminobutyl" EXACT IUPAC_NAME [IUPAC] synonym: "lysine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:43799 ! butan-1-amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.12894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.08132" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC*" xsd:string [Term] id: CHEBI:50340 name: 3-carbamimidamidopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "3-(carbamimidoylamino)propyl" RELATED [IUPAC] synonym: "3-carbamimidamidopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "3-guanidinopropyl" RELATED [ChEBI] synonym: "arginine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.14242" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.08747" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NCCC*" xsd:string [Term] id: CHEBI:50370 name: parasympatholytic namespace: chebi_ontology def: "Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists." [] subset: 3_STAR synonym: "parasympatholytics" RELATED [ChEBI] is_a: CHEBI:48873 ! cholinergic antagonist [Term] id: CHEBI:50401 name: cholestanoid namespace: chebi_ontology def: "Any steroid based on a cholestane skeleton and its derivatives." [] subset: 3_STAR synonym: "cholestanoids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35516 ! cholestane [Term] id: CHEBI:50427 name: platelet aggregation inhibitor namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "platelet aggregation inhibitors" RELATED [ChEBI] is_a: CHEBI:50248 ! hematologic agent [Term] id: CHEBI:50505 name: sweetening agent namespace: chebi_ontology def: "Substance that sweeten food, beverages, medications, etc." [] subset: 3_STAR synonym: "sweetener" RELATED [ChEBI] synonym: "sweeteners" RELATED [ChEBI] is_a: CHEBI:35617 ! flavouring agent [Term] id: CHEBI:50509 name: potassium channel blocker namespace: chebi_ontology def: "An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions." [] subset: 3_STAR is_a: CHEBI:50510 ! potassium channel modulator [Term] id: CHEBI:50510 name: potassium channel modulator namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:50523 name: butenolide namespace: chebi_ontology alt_id: CHEBI:22960 alt_id: CHEBI:38121 def: "A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "2-furanone" RELATED [ChEBI] synonym: "butenolides" RELATED [ChEBI] synonym: "furan-2-one" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Butenolide is_a: CHEBI:24129 ! furans is_a: CHEBI:37581 ! gamma-lactone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.02113" xsd:string [Term] id: CHEBI:50584 name: alkyl alcohol namespace: chebi_ontology alt_id: CHEBI:22937 alt_id: CHEBI:50581 def: "An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position." [] subset: 3_STAR synonym: "alkyl alcohols" RELATED [ChEBI] synonym: "hydroxyalkane" RELATED [ChEBI] synonym: "hydroxyalkanes" RELATED [ChEBI] is_a: CHEBI:2571 ! aliphatic alcohol [Term] id: CHEBI:50699 name: oligosaccharide namespace: chebi_ontology alt_id: CHEBI:25679 alt_id: CHEBI:35319 alt_id: CHEBI:7758 def: "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." [] subset: 3_STAR synonym: "O-glycosylglycoside" RELATED [ChEBI] synonym: "O-glycosylglycosides" RELATED [ChEBI] synonym: "oligosacarido" RELATED [ChEBI] synonym: "oligosacaridos" RELATED [IUPAC] synonym: "Oligosaccharide" EXACT [KEGG_COMPOUND] synonym: "oligosaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00930 is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:167559 ! glycan [Term] id: CHEBI:50733 name: nutraceutical namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "Dietary Supplement" RELATED [ChEBI] synonym: "Food Supplementation" RELATED [ChEBI] synonym: "Nutritional supplement" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50739 name: estrogen receptor modulator namespace: chebi_ontology def: "A substance that possess antiestrogenic actions but can also produce estrogenic effects as well. It acts as complete or partial agonist or as antagonist. It can be either steroidal or nonsteroidal in structure." [] subset: 3_STAR is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50790 name: EC 1.14.14.14 (aromatase) inhibitor namespace: chebi_ontology def: "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 which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones." [] subset: 3_STAR synonym: "aromatase (EC 1.14.14.14) inhibitor" RELATED [ChEBI] synonym: "aromatase (EC 1.14.14.14) inhibitors" RELATED [ChEBI] synonym: "aromatase inhibitor" RELATED [ChEBI] synonym: "aromatase inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.14 (aromatase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.14 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.14.14 inhibitors" RELATED [ChEBI] synonym: "estrogen synthase inhibitor" RELATED [ChEBI] synonym: "estrogen synthase inhibitors" RELATED [ChEBI] synonym: "estrogen synthetase inhibitor" RELATED [ChEBI] synonym: "estrogen synthetase inhibitors" RELATED [ChEBI] synonym: "oestrogen synthase inhibitor" RELATED [ChEBI] synonym: "oestrogen synthase inhibitors" RELATED [ChEBI] synonym: "oestrogen synthetase inhibitor" RELATED [ChEBI] synonym: "oestrogen synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:Aromatase_inhibitor is_a: 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 [Term] id: CHEBI:50827 name: antiparathyroid drug namespace: chebi_ontology def: "A drug used to treat hyperparathyroidism by reducing the excessive production of parathyroid hormones." [] subset: 3_STAR synonym: "antiparathyroid agent" RELATED [ChEBI] synonym: "antiparathyroid agents" RELATED [ChEBI] synonym: "antiparathyroid drugs" RELATED [ChEBI] is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:50837 name: estrogen antagonist namespace: chebi_ontology def: "A compound which inhibits or antagonises the biosynthesis or actions of estrogens." [] subset: 3_STAR synonym: "oestrogen antagonist" RELATED [ChEBI] is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:50846 name: immunomodulator namespace: chebi_ontology def: "Biologically active substance whose activity affects or plays a role in the functioning of the immune system." [] subset: 3_STAR synonym: "Biomodulator" RELATED [ChEBI] synonym: "Immune factor" RELATED [ChEBI] synonym: "Immunologic factor" RELATED [ChEBI] synonym: "Immunological factor" RELATED [ChEBI] synonym: "immunomodulators" RELATED [ChEBI] xref: Wikipedia:Immunotherapy is_a: CHEBI:23888 ! drug is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:50847 name: immunological adjuvant namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "Immunoactivator" RELATED [ChEBI] synonym: "Immunoadjuvant" RELATED [ChEBI] synonym: "Immunologic adjuvant" RELATED [ChEBI] synonym: "Immunopotentiator" RELATED [ChEBI] synonym: "Immunostimulant" RELATED [ChEBI] xref: Wikipedia:Immunologic_adjuvant is_a: CHEBI:50846 ! immunomodulator is_a: CHEBI:60809 ! adjuvant [Term] id: CHEBI:50855 name: antiatherogenic agent namespace: chebi_ontology def: "A cardiovascular drug that prevents atherogenesis, the accumulation of lipid-containing plaques on the innermost layers of the arteries. Compare with antiatherosclerotic agent." [] subset: 3_STAR synonym: "anti-atherogenic agent" RELATED [ChEBI] synonym: "anti-atherogenic agents" RELATED [ChEBI] synonym: "anti-atherogenic drug" RELATED [ChEBI] synonym: "anti-atherogenic drugs" RELATED [ChEBI] synonym: "antiatherogenic agent" EXACT [ChEBI] synonym: "antiatherogenic agents" RELATED [ChEBI] synonym: "antiatherogenic drug" RELATED [ChEBI] synonym: "antiatherogenic drugs" RELATED [ChEBI] xref: PMID:14592471 {source="Europe PMC"} xref: PMID:16366593 {source="Europe PMC"} xref: PMID:17990280 {source="Europe PMC"} xref: PMID:20222342 {source="Europe PMC"} xref: PMID:21074432 {source="Europe PMC"} xref: PMID:21172387 {source="Europe PMC"} xref: PMID:21649483 {source="Europe PMC"} xref: PMID:3288054 {source="Europe PMC"} xref: PMID:9796331 {source="Europe PMC"} is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:50857 name: anti-allergic agent namespace: chebi_ontology def: "A drug used to treat allergic reactions." [] subset: 3_STAR synonym: "anti-allergic agents" RELATED [ChEBI] synonym: "anti-allergic drug" RELATED [ChEBI] synonym: "anti-allergic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50858 name: corticosteroid namespace: chebi_ontology def: "A natural or synthetic analogue of the hormones secreted by the adrenal gland." [] subset: 3_STAR synonym: "corticoides" RELATED [ChEBI] synonym: "corticosteroides" RELATED [ChEBI] synonym: "corticosteroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:50860 name: organic molecular entity namespace: chebi_ontology alt_id: CHEBI:25700 alt_id: CHEBI:33244 def: "Any molecular entity that contains carbon." [] subset: 3_STAR synonym: "organic compounds" RELATED [ChEBI] synonym: "organic entity" RELATED [ChEBI] synonym: "organic molecular entities" RELATED [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:27594 ! carbon atom [Term] id: CHEBI:50902 name: genotoxin namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "genotoxic agent" RELATED [ChEBI] synonym: "genotoxic agents" RELATED [ChEBI] synonym: "genotoxins" RELATED [ChEBI] xref: Wikipedia:Genotoxicity is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50903 name: carcinogenic agent namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "agente carcinogeno" RELATED [ChEBI] synonym: "cancerigene" RELATED [ChEBI] synonym: "cancerogene" RELATED [ChEBI] synonym: "carcinogen" RELATED [ChEBI] synonym: "carcinogene" RELATED [ChEBI] synonym: "carcinogenic agents" RELATED [ChEBI] synonym: "carcinogeno" RELATED [ChEBI] synonym: "carcinogens" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50904 name: allergen namespace: chebi_ontology def: "A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy." [] subset: 3_STAR synonym: "alergeno" RELATED [ChEBI] synonym: "allergene" RELATED [ChEBI] synonym: "allergenic agent" RELATED [ChEBI] xref: Wikipedia:Allergen is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50906 name: role namespace: chebi_ontology def: "A role is particular behaviour which a material entity may exhibit." [] subset: 3_STAR is_a: PATO:0000001 ! quality [Term] id: CHEBI:50910 name: neurotoxin namespace: chebi_ontology alt_id: CHEBI:50911 def: "A poison that interferes with the functions of the nervous system." [] subset: 3_STAR synonym: "agente neurotoxico" RELATED [ChEBI] synonym: "nerve poison" RELATED [ChEBI] synonym: "nerve poisons" RELATED [ChEBI] synonym: "neurotoxic agent" RELATED [ChEBI] synonym: "neurotoxic agents" RELATED [ChEBI] synonym: "neurotoxicant" RELATED [ChEBI] synonym: "neurotoxins" RELATED [ChEBI] xref: Wikipedia:Neurotoxin is_a: CHEBI:52209 ! aetiopathogenetic role is_a: CHEBI:64909 ! poison [Term] id: CHEBI:50919 name: antiemetic namespace: chebi_ontology def: "A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors." [] subset: 3_STAR synonym: "anti-emetic" RELATED [ChEBI] synonym: "anti-emetics" RELATED [ChEBI] synonym: "antiemetico" RELATED [ChEBI] synonym: "antiemetics" RELATED [ChEBI] xref: Wikipedia:Antiemetic is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50926 name: angiogenesis modulating agent namespace: chebi_ontology def: "An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents." [] subset: 3_STAR is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50949 name: serotonin uptake inhibitor namespace: chebi_ontology def: "A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent." [] subset: 3_STAR synonym: "serotonin reuptake inhibitor" RELATED [ChEBI] synonym: "SSRI" RELATED [ChEBI] xref: Wikipedia:Selective_serotonin_reuptake_inhibitor is_a: CHEBI:48278 ! serotonergic drug [Term] id: CHEBI:50994 name: primary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group." [] subset: 3_STAR synonym: "primary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_base_of CHEBI:65296 ! primary ammonium ion [Term] id: CHEBI:50996 name: tertiary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "tertiary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_base_of CHEBI:137982 ! tertiary ammonium ion [Term] id: CHEBI:51026 name: macrocycle namespace: chebi_ontology def: "A cyclic compound containing nine or more atoms as part of the cyclic system." [] subset: 3_STAR synonym: "macrocycle" EXACT IUPAC_NAME [IUPAC] synonym: "macrocycles" RELATED [ChEBI] synonym: "Makrocyclen" RELATED [ChEBI] synonym: "makrocyclische Verbindungen" RELATED [ChEBI] synonym: "Makrozyklen" RELATED [ChEBI] synonym: "makrozyklische Verbindungen" RELATED [ChEBI] xref: Wikipedia:Macrocycle is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:51039 name: dopamine uptake inhibitor namespace: chebi_ontology def: "A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake." [] subset: 3_STAR synonym: "DARI" RELATED [ChEBI] synonym: "dopamine reuptake inhibitor" RELATED [ChEBI] synonym: "dopamine reuptake inhibitors" RELATED [ChEBI] synonym: "dopamine uptake inhibitors" RELATED [ChEBI] synonym: "DRI" RELATED [ChEBI] xref: Wikipedia:Dopamine_uptake_inhibitor is_a: CHEBI:48560 ! dopaminergic agent [Term] id: CHEBI:51061 name: hormone receptor modulator namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "hormone receptor modulators" RELATED [ChEBI] is_a: CHEBI:90710 ! receptor modulator [Term] id: CHEBI:51086 name: chemical role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof within a chemical context." [] subset: 3_STAR is_a: CHEBI:50906 ! role [Term] id: CHEBI:51143 name: nitrogen molecular entity namespace: chebi_ontology alt_id: CHEBI:25556 alt_id: CHEBI:7594 subset: 3_STAR synonym: "nitrogen compounds" RELATED [ChEBI] synonym: "nitrogen molecular entities" RELATED [ChEBI] synonym: "Nitrogenous compounds" RELATED [KEGG_COMPOUND] xref: KEGG:C06061 is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:25555 ! nitrogen atom [Term] id: CHEBI:51151 name: dipolar compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "dipolar compounds" RELATED [ChEBI] is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:51269 name: acenes namespace: chebi_ontology def: "Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:51270 name: tetracenes namespace: chebi_ontology def: "Compounds containing a tetracene skeleton." [] subset: 3_STAR synonym: "naphthacenes" RELATED [ChEBI] is_a: CHEBI:51269 ! acenes [Term] id: CHEBI:51356 name: penicillinate anion namespace: chebi_ontology alt_id: CHEBI:58108 def: "Any anion formed by loss of a proton from the carboxy group of a penicillin." [] subset: 3_STAR synonym: "a penicillin" RELATED [UniProt] synonym: "penicillin anion" RELATED [ChEBI] synonym: "penicillin anions" RELATED [ChEBI] is_a: CHEBI:47811 ! penamcarboxylate relationship: is_conjugate_base_of CHEBI:17334 ! penicillin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10N2O4SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.25200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.03613" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C([O-])=O" xsd:string [Term] id: CHEBI:51371 name: muscle relaxant namespace: chebi_ontology def: "A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis." [] subset: 3_STAR synonym: "muscle relaxants" RELATED [ChEBI] is_a: CHEBI:51372 ! neuromuscular agent [Term] id: CHEBI:51372 name: neuromuscular agent namespace: chebi_ontology def: "A drug used for its actions on skeletal muscle." [] subset: 3_STAR is_a: CHEBI:23888 ! drug [Term] id: CHEBI:51373 name: GABA agonist namespace: chebi_ontology def: "A drug that binds to and activates gamma-aminobutyric acid receptors." [] subset: 3_STAR synonym: "GABA agonists" RELATED [ChEBI] synonym: "GABA receptor agonist" RELATED [ChEBI] synonym: "GABA receptor agonists" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor agonist" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor agonists" RELATED [ChEBI] is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:51374 name: GABA agent namespace: chebi_ontology def: "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." [] subset: 3_STAR is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:51422 name: organodiyl group namespace: chebi_ontology def: "Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s)." [] subset: 3_STAR synonym: "organodiyl groups" RELATED [ChEBI] is_a: CHEBI:51446 ! organic divalent group [Term] id: CHEBI:51446 name: organic divalent group namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:51447 name: organic univalent group namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:51569 name: N-acyl-amino acid namespace: chebi_ontology alt_id: CHEBI:21653 alt_id: CHEBI:22226 def: "A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid." [] subset: 3_STAR synonym: "acyl-amino-acid" RELATED [ChEBI] synonym: "acyl-amino-acids" RELATED [ChEBI] synonym: "acylamino acids" RELATED [ChEBI] synonym: "N-acyl amino acid" RELATED [ChEBI] synonym: "N-acyl amino acids" RELATED [ChEBI] synonym: "N-acyl-amino-acid" RELATED [ChEBI] synonym: "N-acyl-amino-acids" RELATED [ChEBI] synonym: "N-acylamino acid" RELATED [ChEBI] synonym: "N-acylamino acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:33709 ! amino acid [Term] id: CHEBI:51570 name: biotins namespace: chebi_ontology def: "Compounds containing a biotin (5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid) skeleton." [] subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:38295 ! azabicycloalkane is_a: CHEBI:38297 ! thiabicycloalkane is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:51958 name: organic polycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic polycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:51959 name: organic tricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic tricyclic compounds" RELATED [ChEBI] is_a: CHEBI:51958 ! organic polycyclic compound [Term] id: CHEBI:52090 name: methoxide namespace: chebi_ontology def: "An organic anion that is the conjugate base of methanol." [] subset: 3_STAR synonym: "methoxide ion" RELATED [ChEBI] xref: Reaxys:1839368 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:17790 ! methanol relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3O/c1-2/h1H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBTOZLQBSIZIKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.03390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[O-]" xsd:string [Term] id: CHEBI:52206 name: biochemical role namespace: chebi_ontology def: "A biological role played by the molecular entity or part thereof within a biochemical context." [] subset: 3_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52208 name: biophysical role namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52209 name: aetiopathogenetic role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof which causes the development of a pathological process." [] subset: 3_STAR synonym: "etiopathogenetic agent" RELATED [ChEBI] synonym: "etiopathogenetic role" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52210 name: pharmacological role namespace: chebi_ontology def: "A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties." [] subset: 3_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52211 name: physiological role namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52214 name: ligand namespace: chebi_ontology def: "Any molecule or ion capable of binding to a central metal atom to form coordination complexes." [] subset: 3_STAR synonym: "ligands" RELATED [ChEBI] xref: Wikipedia:Ligand is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:52217 name: pharmaceutical namespace: chebi_ontology alt_id: CHEBI:33293 alt_id: CHEBI:33294 def: "Any substance introduced into a living organism with therapeutic or diagnostic purpose." [] subset: 3_STAR synonym: "farmaco" RELATED [ChEBI] synonym: "medicament" RELATED [ChEBI] synonym: "pharmaceuticals" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:52254 name: apatite namespace: chebi_ontology def: "A phosphate mineral with the general formula Ca5(PO4)3X where X = OH, F or Cl." [] subset: 3_STAR synonym: "hydroxyapatite" RELATED [ChEBI] xref: HMDB:HMDB0033610 is_a: CHEBI:46723 ! phosphate mineral [Term] id: CHEBI:52255 name: hydroxylapatite namespace: chebi_ontology def: "A phosphate mineral with the formula Ca5(PO4)3(OH)." [] subset: 3_STAR is_a: CHEBI:52254 ! apatite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca5HO13P3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "502.312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "501.67595" xsd:string [Term] id: CHEBI:52395 name: oxyketone namespace: chebi_ontology def: "A compound with the general formula R2C=O (R=/=H) where one or more of the R groups contains an oxy (-O-) group." [] subset: 3_STAR synonym: "oxyketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:52396 name: alpha-oxyketone namespace: chebi_ontology def: "An oxyketone with the general formula R2C(=O) (R=/=H) where one or more of the R groups contains an oxy (-O-) group and the oxy and carbonyl groups are bonded to the same carbon atom." [] subset: 3_STAR synonym: "alpha-oxyketones" RELATED [ChEBI] is_a: CHEBI:52395 ! oxyketone [Term] id: CHEBI:53000 name: epitope namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "antigenic determinant" RELATED [ChEBI] synonym: "epitope function" RELATED [ChEBI] synonym: "epitope role" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:53309 name: polyanionic macromolecule namespace: chebi_ontology def: "A polymer carrying multiple negative charges." [] subset: 3_STAR synonym: "polyanion" RELATED [ChEBI] synonym: "polyanions" RELATED [SUBMITTER] is_a: CHEBI:53368 ! ionic macromolecule [Term] id: CHEBI:53339 name: olefinic fatty acid namespace: chebi_ontology def: "Any fatty acid containing at least one C=C double bond." [] subset: 3_STAR xref: PMID:832335 {source="Europe PMC"} is_a: CHEBI:27208 ! unsaturated fatty acid is_a: CHEBI:78840 ! olefinic compound [Term] id: CHEBI:53368 name: ionic macromolecule namespace: chebi_ontology def: "A macromolecule containing ionic groups." [] subset: 3_STAR synonym: "ionic polymer" RELATED [ChEBI] synonym: "polyionic macromolecule" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule [Term] id: CHEBI:5386 name: globin namespace: chebi_ontology subset: 3_STAR synonym: "Globin" EXACT [KEGG_COMPOUND] synonym: "globins" RELATED [ChEBI] synonym: "pentacoordinate globin" RELATED [COMe] xref: COMe:PRX000257 xref: KEGG:C06258 is_a: CHEBI:35137 ! hemoprotein [Term] id: CHEBI:55323 name: antidiarrhoeal drug namespace: chebi_ontology def: "Any drug found useful in the symptomatic treatment of diarrhoea." [] subset: 3_STAR synonym: "antidiarrheal" RELATED [ChEBI] synonym: "antidiarrheal agent" RELATED [ChEBI] synonym: "antidiarrheal agents" RELATED [ChEBI] synonym: "antidiarrheal drug" RELATED [ChEBI] synonym: "antidiarrheal drugs" RELATED [ChEBI] synonym: "antidiarrheals" RELATED [ChEBI] synonym: "antidiarrhoeal" RELATED [ChEBI] synonym: "antidiarrhoeal agent" RELATED [ChEBI] synonym: "antidiarrhoeal agents" RELATED [ChEBI] synonym: "antidiarrhoeal drugs" RELATED [ChEBI] synonym: "antidiarrhoeals" RELATED [ChEBI] synonym: "antiperistaltic" RELATED [ChEBI] synonym: "antiperistaltic agent" RELATED [ChEBI] synonym: "antiperistaltic agents" RELATED [ChEBI] synonym: "antiperistaltic drug" RELATED [ChEBI] synonym: "antiperistaltic drugs" RELATED [ChEBI] synonym: "antiperistaltics" RELATED [ChEBI] is_a: CHEBI:55324 ! gastrointestinal drug [Term] id: CHEBI:55324 name: gastrointestinal drug namespace: chebi_ontology def: "A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion." [] subset: 3_STAR synonym: "gastrointestinal agent" RELATED [ChEBI] synonym: "gastrointestinal agents" RELATED [ChEBI] synonym: "gastrointestinal drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:5686 name: heterocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of at least two different elements." [] subset: 3_STAR synonym: "compuesto heterociclico" RELATED [IUPAC] synonym: "compuestos heterociclicos" RELATED [IUPAC] synonym: "heterocycle" RELATED [ChEBI] synonym: "Heterocyclic compound" EXACT [KEGG_COMPOUND] synonym: "heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:57305 name: glycine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine." [] subset: 3_STAR synonym: "2-azaniumylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "glycine" RELATED [UniProt] xref: Gmelin:1807 {source="Gmelin"} xref: MetaCyc:GLY is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:15428 ! glycine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CC([O-])=O" xsd:string [Term] id: CHEBI:57560 name: long-chain fatty acid anion namespace: chebi_ontology alt_id: CHEBI:13652 def: "A fatty acid anion with a chain length of C13 to C22." [] subset: 3_STAR synonym: "a long-chain carboxylate" RELATED [ChEBI] synonym: "a long-chain fatty acid" RELATED [UniProt] synonym: "long-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:15904 ! long-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:57586 name: biotinate namespace: chebi_ontology def: "Conjugate base of biotin arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "biotin" RELATED [UniProt] synonym: "biotin anion" RELATED [ChEBI] xref: Beilstein:10186323 {source="Beilstein"} xref: MetaCyc:BIOTIN is_a: CHEBI:176841 ! vitamin B7 is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:15956 ! biotin relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBJHBAHKTGYVGT-ZKWXMUAHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "243.30300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.08034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2" xsd:string [Term] id: CHEBI:57630 name: gamma-amino-beta-hydroxybutyric acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of gamma-amino-beta-hydroxybutyric acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "4-amino-3-hydroxybutanoate" RELATED [UniProt] synonym: "4-ammonio-3-hydroxybutanoate" RELATED [ChEBI] synonym: "4-azaniumyl-3-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:11955 ! 4-amino-3-hydroxybutanoate relationship: is_tautomer_of CHEBI:16080 ! gamma-amino-beta-hydroxybutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQGDEPYYFWUPGO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.11920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CC(O)CC([O-])=O" xsd:string [Term] id: CHEBI:57652 name: chondroitin D-glucuronate anion namespace: chebi_ontology def: "Anionic form of chondroitin D-glucuronate arising from deprotonation of the carboxylic acid groups of the repeating units; major species at pH 7.3." [] subset: 3_STAR synonym: "chondroitin D-glucuronate" RELATED [UniProt] synonym: "chondroitin D-glucuronate polyanion" RELATED [ChEBI] is_a: CHEBI:61469 ! polyanionic polymer relationship: is_conjugate_base_of CHEBI:16137 ! chondroitin D-glucuronate property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O(C14H20NO11)n" xsd:string [Term] id: CHEBI:57844 name: L-methionine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-methionine having a anionic carboxy group and a cationic amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-4-(methylsulfanyl)butanoate" RELATED [ChEBI] synonym: "(2S)-2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-methionine" RELATED [UniProt] xref: Gmelin:560248 {source="Gmelin"} xref: MetaCyc:MET is_a: CHEBI:64558 ! methionine zwitterion relationship: is_tautomer_of CHEBI:16643 ! L-methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:57869 name: 6-aminopenicillanic acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of 6-aminopenicillanic acid arising from migration of a proton from the carboxy group to the 6-amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S,5R,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" RELATED [ChEBI] synonym: "6-aminopenicillanate" RELATED [UniProt] synonym: "6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:30938 ! 6-aminopenicillanate relationship: is_tautomer_of CHEBI:16705 ! 6-aminopenicillanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGHVIOIJCVXTGV-ALEPSDHESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "216.25700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "216.05686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2[NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:57932 name: D-methionine zwitterion namespace: chebi_ontology def: "Zwitterionic form of D-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "(2R)-2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-methionine" RELATED [UniProt] xref: MetaCyc:CPD-218 is_a: CHEBI:64558 ! methionine zwitterion relationship: is_tautomer_of CHEBI:16867 ! D-methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:57947 name: creatine zwitterion namespace: chebi_ontology def: "Zwitterionic form of creatine arising from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3." [] subset: 3_STAR synonym: "creatine" RELATED [UniProt] synonym: "{[amino(iminio)methyl](methyl)amino}acetate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:CREATINE is_a: CHEBI:27369 ! zwitterion relationship: is_conjugate_acid_of CHEBI:66924 ! creatinate relationship: is_tautomer_of CHEBI:16919 ! creatine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CVSVTCORWBXHQV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.13320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.06948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC([O-])=O)C(N)=[NH2+]" xsd:string [Term] id: CHEBI:57966 name: beta-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "3-ammoniopropanoate" RELATED [IUPAC] synonym: "3-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "beta-alanine" RELATED [UniProt] xref: Gmelin:454332 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16958 ! beta-alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCMIRNVEIXFBKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCC([O-])=O" xsd:string [Term] id: CHEBI:57977 name: bilirubin(2-) namespace: chebi_ontology def: "A dicarboxylic acid dianion obtained by deprotonation of the two carboxy groups of bilirubin; major species at pH 7.3." [] subset: 3_STAR synonym: "2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoate" RELATED [ChEBI] synonym: "bilirubin dianion" RELATED [ChEBI] synonym: "bilirubin IXalpha" RELATED [UniProt] xref: Beilstein:4083310 {source="Beilstein"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:28965 ! dicarboxylic acid dianion is_a: CHEBI:59252 ! linear tetrapyrrole anion relationship: is_conjugate_base_of CHEBI:16990 ! bilirubin IXalpha relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H34N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13-,27-14-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BPYKTIZUTYGOLE-IFADSCNNSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "582.64630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "582.24893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C=C)\\C(NC1=O)=C\\c1[nH]c(Cc2[nH]c(\\C=C3NC(=O)C(C=C)=C/3C)c(C)c2CCC([O-])=O)c(CCC([O-])=O)c1C" xsd:string [Term] id: CHEBI:57986 name: riboflavin(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of riboflavin resulting from the removal of a proton from the nitrogen at position 3 (between the two carbonyl groups). Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-D-ribitol" EXACT IUPAC_NAME [IUPAC] synonym: "7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide" RELATED [ChEBI] synonym: "riboflavin" RELATED [UniProt] synonym: "riboflavin anion" RELATED [ChEBI] synonym: "vitamin B2(1-)" RELATED [ChEBI] xref: Beilstein:4924198 {source="Beilstein"} xref: Chemspider:26330994 xref: MetaCyc:RIBOFLAVIN is_a: CHEBI:176838 ! vitamin B2 is_a: CHEBI:60531 ! flavin(1-) relationship: is_conjugate_base_of CHEBI:17015 ! riboflavin relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1/t11-,12+,14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUNGANRZJHBGPY-SCRDCRAPSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "375.35600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "375.13101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[n-]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C" xsd:string [Term] id: CHEBI:58001 name: primary aliphatic ammonium ion namespace: chebi_ontology def: "The conjugate acid of a primary aliphatic amine." [] subset: 3_STAR synonym: "an aliphatic amine" RELATED [UniProt] synonym: "primary aliphatic ammonium cation" RELATED [ChEBI] synonym: "primary aliphatic ammonium cations" RELATED [ChEBI] synonym: "primary aliphatic ammonium ions" RELATED [ChEBI] is_a: CHEBI:65296 ! primary ammonium ion relationship: is_conjugate_acid_of CHEBI:17062 ! primary aliphatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH5NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.05710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C[*]" xsd:string [Term] id: CHEBI:58092 name: N-phosphocreatinate(2-) namespace: chebi_ontology def: "Dianion of N-phosphocreatine arising from deprotonation of the phospho and carboxy groups and protonation of the guanidino group; major species at pH 7.3." [] subset: 3_STAR synonym: "N-phosphocreatinate" RELATED [ChEBI] synonym: "N-phosphocreatine" RELATED [UniProt] synonym: "N-phosphocreatine dianion" RELATED [ChEBI] synonym: "{[iminio(phosphonatoamino)methyl](methyl)amino}acetate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:CREATINE-P is_a: BFO:0000004 ! independent continuant is_a: CHEBI:60345 ! organic phosphoramidate anion relationship: is_conjugate_base_of CHEBI:17287 ! N-phosphocreatine relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8N3O5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRBBFCLWYRJSJZ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.09720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.02125" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC([O-])=O)C(=[NH2+])NP([O-])([O-])=O" xsd:string [Term] id: CHEBI:58389 name: trimethylammonium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3." [] subset: 3_STAR synonym: "N,N-dimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "trimethylamine" RELATED [UniProt] synonym: "trimethylammonium cation" RELATED [ChEBI] synonym: "trimethylazanium" RELATED [ChEBI] synonym: "trimethylazanium cation" RELATED [ChEBI] xref: MetaCyc:TRIMETHYLAMINE xref: Reaxys:16709444 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:18139 ! trimethylamine relationship: RO:0000087 CHEBI:76967 ! has role human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H10N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETQZCLCWQTVFV-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.11820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.08078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)C" xsd:string [Term] id: CHEBI:58496 name: N-acetyl-D-amino acid anion namespace: chebi_ontology def: "The conjugate base of an N-acetyl-D-amino acid." [] subset: 3_STAR synonym: "an N-acetyl-D-amino acid" RELATED [UniProt] synonym: "N-acetyl-D-amino acetate(1-)" RELATED [ChEBI] synonym: "N-acetyl-D-amino acid anions" RELATED [ChEBI] synonym: "N-acetyl-D-amino carboxylate anions" RELATED [ChEBI] is_a: CHEBI:59876 ! N-acyl-D-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:21501 ! N-acetyl-D-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5NO3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.08740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.02694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N[C@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:58945 name: organophosphate oxoanion namespace: chebi_ontology def: "An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated." [] subset: 3_STAR synonym: "organophosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:26079 ! phosphoric acid derivative [Term] id: CHEBI:58951 name: short-chain fatty acid anion namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "a short-chain fatty acid" RELATED [UniProt] synonym: "short-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:26666 ! short-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:58953 name: saturated fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion in which there is no C-C unsaturation." [] subset: 3_STAR synonym: "saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion [Term] id: CHEBI:58954 name: straight-chain saturated fatty acid anion namespace: chebi_ontology def: "Any saturated fatty acid anion lacking a carbon side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58953 ! saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:39418 ! straight-chain saturated fatty acid [Term] id: CHEBI:58955 name: branched-chain fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion with a carbon side-chain or isopropyl termination." [] subset: 3_STAR synonym: "branched-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:35819 ! branched-chain fatty acid [Term] id: CHEBI:58956 name: branched-chain saturated fatty acid anion namespace: chebi_ontology def: "Any saturated fatty acid anion with a carbon side-chain or isopropyl termination." [] subset: 3_STAR synonym: "branched-chain saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58953 ! saturated fatty acid anion is_a: CHEBI:58955 ! branched-chain fatty acid anion relationship: is_conjugate_base_of CHEBI:39417 ! branched-chain saturated fatty acid [Term] id: CHEBI:58958 name: organosulfate oxoanion namespace: chebi_ontology def: "An organic anion of general formula RS(=O)2O(-) where R is an organyl group." [] subset: 3_STAR synonym: "organosulfate oxoanions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:33482 ! sulfur oxoanion relationship: has_functional_parent CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:25704 ! organic sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:59174 name: hapten namespace: chebi_ontology def: "Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals." [] subset: 3_STAR synonym: "haptens" RELATED [ChEBI] xref: PMID:17875790 {source="Europe PMC"} xref: PMID:17986299 {source="Europe PMC"} xref: PMID:19101624 {source="Europe PMC"} xref: PMID:291959 {source="Europe PMC"} xref: PMID:3782019 {source="Europe PMC"} is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:59202 name: straight-chain fatty acid namespace: chebi_ontology def: "Any fatty acid whose skeletal carbon atoms form an unbranched open chain." [] subset: 3_STAR synonym: "straight-chain fatty acids" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59203 ! straight-chain fatty acid anion [Term] id: CHEBI:59203 name: straight-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid." [] subset: 3_STAR synonym: "straight-chain FA anion" RELATED [ChEBI] synonym: "straight-chain FA anions" RELATED [ChEBI] synonym: "straight-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59202 ! straight-chain fatty acid [Term] id: CHEBI:59252 name: linear tetrapyrrole anion namespace: chebi_ontology def: "An organic anion arising from deprotonation of a acyclic tetrapyrrole compound." [] subset: 3_STAR synonym: "acyclic tetrapyrrole anion" RELATED [ChEBI] synonym: "acyclic tetrapyrrole anions" RELATED [ChEBI] synonym: "linear tetrapyrrole anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:59549 name: essential fatty acid namespace: chebi_ontology def: "Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement." [] subset: 3_STAR synonym: "acides gras indispensables" RELATED [ChEBI] synonym: "acidos grasos esenciales" RELATED [ChEBI] synonym: "EFA" RELATED [ChEBI] synonym: "EFAs" RELATED [ChEBI] synonym: "EFS" RELATED [ChEBI] synonym: "essential fatty acids" RELATED [ChEBI] synonym: "essentielle Fettsaeuren" RELATED [ChEBI] xref: PMID:1745654 {source="Europe PMC"} xref: PMID:19034351 {source="Europe PMC"} xref: PMID:7609665 {source="Europe PMC"} is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] id: CHEBI:59554 name: medium-chain fatty acid namespace: chebi_ontology def: "Any fatty acid with a chain length of between C6 and C12." [] subset: 3_STAR synonym: "MCFA" RELATED [ChEBI] synonym: "MCFAs" RELATED [ChEBI] synonym: "medium-chain fatty acids" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59558 ! medium-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:59558 name: medium-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid." [] subset: 3_STAR synonym: "a medium chain fatty acid" RELATED [UniProt] synonym: "MCFA anion" RELATED [ChEBI] synonym: "MCFA anions" RELATED [ChEBI] synonym: "medium-chain FA anion" RELATED [ChEBI] synonym: "medium-chain FA anions" RELATED [ChEBI] synonym: "medium-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59554 ! medium-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:59561 name: diamino acid anion namespace: chebi_ontology def: "An organic anion that is the conjugate base of diamino acid." [] subset: 3_STAR synonym: "diamino acid anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:35987 ! diamino acid [Term] id: CHEBI:59698 name: phosphoric acids namespace: chebi_ontology def: "Compounds containing one or more phosphoric acid units." [] subset: 3_STAR is_a: CHEBI:33457 ! phosphorus oxoacid [Term] id: CHEBI:597326 name: pyridoxal 5'-phosphate(2-) namespace: chebi_ontology def: "The dianion resulting from the removal of two protons from the phosphate group of pyridoxal 5'-phosphate." [] subset: 3_STAR synonym: "(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate dianion" RELATED [ChEBI] synonym: "3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate(2-)" RELATED [ChEBI] synonym: "pyridoxal 5'-phosphate" RELATED [UniProt] synonym: "pyridoxal 5'-phosphate dianion" RELATED [ChEBI] xref: PMID:19144516 {source="ChEMBL"} is_a: CHEBI:176894 ! vitamin B6 phosphate anion relationship: is_conjugate_base_of CHEBI:18405 ! pyridoxal 5'-phosphate relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8NO6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGVDGCNFYWLIFO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "245.12600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "245.01002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)c1c(COP([O-])([O-])=O)cnc(C)c1O" xsd:string [Term] id: CHEBI:59740 name: nucleophilic reagent namespace: chebi_ontology def: "A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons." [] subset: 3_STAR synonym: "nucleophile" RELATED [ChEBI] synonym: "nucleophiles" RELATED [ChEBI] synonym: "nucleophilic reagents" RELATED [ChEBI] is_a: CHEBI:33893 ! reagent is_a: CHEBI:39144 ! Lewis base [Term] id: CHEBI:59789 name: S-adenosyl-L-methionine zwitterion namespace: chebi_ontology def: "A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group." [] subset: 3_STAR synonym: "[(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium" EXACT IUPAC_NAME [IUPAC] synonym: "S-adenosyl-L-methionine" RELATED [UniProt] synonym: "S-adenosyl-L-methionine" RELATED [SUBMITTER] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25697 ! organic cation is_a: CHEBI:26830 ! sulfonium compound relationship: is_tautomer_of CHEBI:15414 ! S-adenosyl-L-methionine relationship: RO:0000087 CHEBI:23357 ! has role cofactor property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H23N6O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEFKEPWMEQBLKI-AIRLBKTGSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "399.44500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.14452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[S+](CC[C@H]([NH3+])C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" xsd:string [Term] id: CHEBI:59814 name: L-alpha-amino acid anion namespace: chebi_ontology def: "Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "L-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:15705 ! L-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H](C(=O)[O-])(N)*" xsd:string [Term] id: CHEBI:59869 name: L-alpha-amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "an L-alpha-amino acid" RELATED [UniProt] synonym: "L-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:78608 ! alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:15705 ! L-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:59871 name: D-alpha-amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "a D-alpha-amino acid" RELATED [UniProt] synonym: "D-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16733 ! D-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:59874 name: N-acyl-L-alpha-amino acid anion namespace: chebi_ontology def: "A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "an N-acyl-L-amino acid" RELATED [UniProt] synonym: "N-acyl-L-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: has_functional_parent CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:48927 ! N-acyl-L-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.05290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00347" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:59876 name: N-acyl-D-alpha-amino acid anion namespace: chebi_ontology def: "The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "an N-acyl-D-amino acid" RELATED [UniProt] synonym: "N-acyl-D-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:15778 ! N-acyl-D-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.05290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00347" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:59886 name: HIV fusion inhibitor namespace: chebi_ontology def: "A drug which interferes with the binding, fusion and entry of an HIV virion to a human cell. By blocking this step in HIV's replication cycle, such agents slow the progression from HIV infection to AIDS." [] subset: 3_STAR synonym: "HIV entry inhibitor" RELATED [ChEBI] synonym: "HIV entry inhibitors" RELATED [ChEBI] synonym: "HIV fusion inhibitors" RELATED [ChEBI] xref: PMID:22470838 {source="Europe PMC"} xref: Wikipedia:Entry_inhibitor is_a: CHEBI:36044 ! antiviral drug is_a: CHEBI:64946 ! anti-HIV agent [Term] id: CHEBI:59999 name: chemical substance namespace: chebi_ontology def: "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." [] subset: 3_STAR synonym: "Chemische Substanz" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity [Term] id: CHEBI:60004 name: mixture namespace: chebi_ontology def: "A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind." [] subset: 3_STAR synonym: "Mischung" RELATED [ChEBI] is_a: CHEBI:59999 ! chemical substance [Term] id: CHEBI:60027 name: polymer namespace: chebi_ontology def: "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.." [] subset: 3_STAR synonym: "Kunststoff" RELATED [ChEBI] synonym: "Polymer" EXACT [ChEBI] xref: Wikipedia:Polymer is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:33839 ! macromolecule [Term] id: CHEBI:60164 name: ionic polymer namespace: chebi_ontology def: "An ionic polymer is a polymer, composed of ionic macromolecules." [] subset: 3_STAR synonym: "polyionic polymer" RELATED [ChEBI] is_a: CHEBI:60027 ! polymer relationship: has_part CHEBI:53368 ! ionic macromolecule [Term] id: CHEBI:60240 name: divalent metal cation namespace: chebi_ontology def: "A metal cation with a valence of two." [] subset: 3_STAR synonym: "a divalent metal cation" RELATED [UniProt] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:64641 ! divalent inorganic cation [Term] id: CHEBI:60242 name: monovalent inorganic cation namespace: chebi_ontology def: "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one." [] subset: 3_STAR synonym: "a monovalent cation" RELATED [UniProt] is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:60258 name: EC 3.4.* (hydrolases acting on peptide bond) inhibitor namespace: chebi_ontology alt_id: CHEBI:76763 def: "A hydrolase inhibitor that interferes with the action of any hydrolase acting on peptide bonds (peptidase), EC 3.4.*.*)." [] subset: 3_STAR synonym: "EC 3.4.* (hydrolase acting on peptide bond) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* (hydrolase acting on peptide bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* (hydrolases acting on peptide bond) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* (peptidase) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* (peptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of hydrolases acting on peptide bond (EC 3.4.*)" RELATED [ChEBI] synonym: "inhibitors of hydrolases acting on peptide bond (EC 3.4.*)" RELATED [ChEBI] synonym: "peptidase inhibitors" RELATED [ChEBI] synonym: "protease inhibitor" RELATED [ChEBI] synonym: "protease inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:60345 name: organic phosphoramidate anion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:60466 name: peptide zwitterion namespace: chebi_ontology def: "Zwitterionic form of any peptide where, in general, the amino terminus is positively charged and the carboxy terminus is negatively charged." [] subset: 3_STAR synonym: "a peptide" RELATED [UniProt] synonym: "peptide zwitterions" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:16670 ! peptide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R(C2H2NOR)n" xsd:string [Term] id: CHEBI:60531 name: flavin(1-) namespace: chebi_ontology def: "Flavin protonated to pH 7.3" [] subset: 3_STAR synonym: "an oxidized flavin" RELATED [UniProt] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:30527 ! flavin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8N4O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.21750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.06473" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[n-]c3=O)n([*])c2cc1C" xsd:string [Term] id: CHEBI:60643 name: NMDA receptor antagonist namespace: chebi_ontology alt_id: CHEBI:60797 def: "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." [] subset: 3_STAR synonym: "N-methyl-D-aspartate receptor antagonist" RELATED [ChEBI] synonym: "N-methyl-D-aspartate receptor antagonists" RELATED [ChEBI] synonym: "NMDA receptor antagonists" RELATED [ChEBI] synonym: "NMDAR antagonist" RELATED [ChEBI] synonym: "NMDAR antagonists" RELATED [ChEBI] is_a: CHEBI:60798 ! excitatory amino acid antagonist [Term] id: CHEBI:60798 name: excitatory amino acid antagonist namespace: chebi_ontology def: "Any substance which inhibits the action of receptors for excitatory amino acids." [] subset: 3_STAR synonym: "EAA receptor antagonist" RELATED [ChEBI] synonym: "EAA receptor antagonists" RELATED [ChEBI] synonym: "excitatory amino acid antagonists" RELATED [ChEBI] synonym: "excitatory amino acid receptor antagonist" RELATED [ChEBI] synonym: "excitatory amino acid receptor antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:60809 name: adjuvant namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "adjuvants" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:60895 name: D-alpha-amino acid anion namespace: chebi_ontology def: "Any alpha-amino acid anion in which the parent amino acid has D-configuration." [] subset: 3_STAR synonym: "D-alpha-amino acid anions" RELATED [ChEBI] synonym: "D-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:16733 ! D-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@H](C(=O)[O-])(N)*" xsd:string [Term] id: CHEBI:60924 name: keratan sulfate namespace: chebi_ontology def: "A sulfated glycosaminoglycan, a linear polymer that consists of the repeating disaccharide [3)-beta-Gal-(1->4)-beta-GlcNAc-(1->] and containing sulfo groups located at random positions." [] subset: 3_STAR synonym: "keratan sulfates" RELATED [ChEBI] synonym: "keratosulfate" RELATED [SUBMITTER] is_a: CHEBI:35722 ! sulfated glycosaminoglycan is_a: CHEBI:37395 ! mucopolysaccharide relationship: has_functional_parent CHEBI:29057 ! keratan [Term] id: CHEBI:61016 name: angiotensin receptor antagonist namespace: chebi_ontology def: "A hormone antagonist that blocks angiotensin receptors." [] subset: 3_STAR synonym: "angiotensin receptor antagonists" RELATED [ChEBI] is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:61115 name: EC 3.5.1.98 (histone deacetylase) inhibitor namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "EC 3.5.1.98 (histone deacetylase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.98 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.98 inhibitors" RELATED [ChEBI] synonym: "HDAC inhibitor" RELATED [ChEBI] synonym: "HDAC inhibitors" RELATED [ChEBI] synonym: "HDACi" RELATED [ChEBI] synonym: "HDACis" RELATED [ChEBI] synonym: "HDI" RELATED [ChEBI] synonym: "HDIs" RELATED [ChEBI] synonym: "histone amidohydrolase inhibitor" RELATED [ChEBI] synonym: "histone amidohydrolase inhibitors" RELATED [ChEBI] synonym: "histone deacetylase (EC 3.5.1.98) inhibitor" RELATED [ChEBI] synonym: "histone deacetylase (EC 3.5.1.98) inhibitors" RELATED [ChEBI] synonym: "histone deacetylase inhibitor" RELATED [ChEBI] synonym: "histone deacetylase inhibitors" RELATED [ChEBI] xref: Wikipedia:Histone_deacetylase_inhibitor is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:61120 name: nucleobase-containing molecular entity namespace: chebi_ontology def: "Any compound that has a nucleobase as a part." [] subset: 3_STAR synonym: "nucleobase-containing compound" RELATED [SUBMITTER] synonym: "nucleobase-containing compounds" RELATED [ChEBI] synonym: "nucleobase-containing molecular entities" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_functional_parent CHEBI:18282 ! nucleobase [Term] id: CHEBI:61355 name: 3-hydroxy carboxylic acid namespace: chebi_ontology def: "Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group." [] subset: 3_STAR synonym: "3-hydroxy carboxylic acids" RELATED [ChEBI] synonym: "3-hydroxycarboxylic acid" RELATED [ChEBI] synonym: "3-hydroxycarboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxycarboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxycarboxylic acids" RELATED [ChEBI] is_a: CHEBI:24669 ! hydroxy carboxylic acid [Term] id: CHEBI:61469 name: polyanionic polymer namespace: chebi_ontology def: "A polymer, composed of polyanion macromolecules." [] subset: 3_STAR synonym: "polyanion" RELATED [ChEBI] synonym: "polyanions" RELATED [ChEBI] is_a: CHEBI:60164 ! ionic polymer relationship: has_part CHEBI:53309 ! polyanionic macromolecule [Term] id: CHEBI:61995 name: lecithin namespace: chebi_ontology def: "A lipid-rich mixture containing glycerol, fatty acids, phosphoric acid and other components." [] subset: 3_STAR xref: PMID:12545497 {source="Europe PMC"} xref: PMID:17288433 {source="Europe PMC"} is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:17754 ! glycerol relationship: has_part CHEBI:35366 ! fatty acid [Term] id: CHEBI:62031 name: polar amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group." [] subset: 2_STAR synonym: "a polar amino acid" RELATED [UniProt] xref: MetaCyc:Polar-amino-acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:26167 ! polar amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C([O-])=O)(*)[NH3+]" xsd:string [Term] id: CHEBI:62499 name: methyl-branched fatty acid namespace: chebi_ontology def: "Any branched-chain fatty acid containing methyl branches only." [] subset: 3_STAR synonym: "methyl-branched fatty acids" RELATED [ChEBI] xref: PMID:17030019 {source="Europe PMC"} xref: PMID:19747846 {source="Europe PMC"} xref: PMID:19933331 {source="SUBMITTER"} is_a: CHEBI:35819 ! branched-chain fatty acid relationship: is_conjugate_acid_of CHEBI:67013 ! methyl-branched fatty acid anion [Term] id: CHEBI:62501 name: folate(2-) namespace: chebi_ontology def: "The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety." [] subset: 3_STAR synonym: "folate" RELATED [UniProt] synonym: "folate" RELATED [MetaCyc] synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "pteroyl-L-glutamate" RELATED [ChEBI] synonym: "pteroyl-L-monoglutamate" RELATED [ChEBI] synonym: "pteroylglutamate" RELATED [ChEBI] xref: MetaCyc:CPD-12826 {source="SUBMITTER"} xref: PMCID:PMC8181341 {source="Europe PMC"} xref: PMID:34051149 {source="Europe PMC"} is_a: CHEBI:28965 ! dicarboxylic acid dianion is_a: CHEBI:67011 ! folates relationship: is_conjugate_base_of CHEBI:27470 ! folic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17N7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "439.38160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "439.12513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:62643 name: anionic phospholipid namespace: chebi_ontology def: "Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-)." [] subset: 3_STAR synonym: "anionic phospholipids" RELATED [ChEBI] synonym: "phospholipid anion" RELATED [ChEBI] synonym: "phospholipid anions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16247 ! phospholipid [Term] id: CHEBI:62803 name: fuel additive namespace: chebi_ontology def: "Any additive that enhances the efficiency of fuel." [] subset: 3_STAR synonym: "fuel additives" RELATED [ChEBI] synonym: "fuel enhancer" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:62868 name: hepatoprotective agent namespace: chebi_ontology def: "Any compound that is able to prevent damage to the liver." [] subset: 3_STAR synonym: "antihepatotoxic agent" RELATED [ChEBI] synonym: "hepatoprotective agents" RELATED [ChEBI] synonym: "hepatoprotector" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:63046 name: emulsifier namespace: chebi_ontology def: "The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability." [] subset: 3_STAR synonym: "emulgent" RELATED [ChEBI] synonym: "emulgents" RELATED [ChEBI] synonym: "emulsifiers" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63048 name: 1,3-thiazolium cation namespace: chebi_ontology def: "An organic cation resulting from protonation or quaternisation at the 3-position of any 1,3-thiazole." [] subset: 3_STAR synonym: "1,3-thiazolium cations" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:38418 ! 1,3-thiazoles [Term] id: CHEBI:63070 name: beta-alaninate namespace: chebi_ontology def: "A beta-amino-acid anion that is the conjugate base of beta-alanine." [] subset: 3_STAR synonym: "3-aminopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "beta-alaninate anion" RELATED [ChEBI] synonym: "beta-alaninate(1-)" RELATED [ChEBI] xref: Reaxys:3536336 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:49095 ! beta-amino-acid anion relationship: is_conjugate_base_of CHEBI:16958 ! beta-alanine relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCMIRNVEIXFBKS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.08520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.04040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCC([O-])=O" xsd:string [Term] id: CHEBI:63161 name: glycosyl compound namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:63299 name: carbohydrate derivative namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "carbohydrate derivatives" RELATED [ChEBI] synonym: "derivatised carbohydrate" RELATED [ChEBI] synonym: "derivatised carbohydrates" RELATED [ChEBI] synonym: "derivatized carbohydrate" RELATED [ChEBI] synonym: "derivatized carbohydrates" RELATED [ChEBI] is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives relationship: has_functional_parent CHEBI:16646 ! carbohydrate [Term] id: CHEBI:63436 name: carbohydrate acid derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from a carbohydrate acid." [] subset: 3_STAR synonym: "carbohydrate acid derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:33720 ! carbohydrate acid relationship: is_conjugate_acid_of CHEBI:63551 ! carbohydrate acid derivative anion [Term] id: CHEBI:63470 name: sulfur-containing amino-acid anion namespace: chebi_ontology def: "A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated)." [] subset: 3_STAR synonym: "sulfur-containing amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:26834 ! sulfur-containing amino acid [Term] id: CHEBI:63471 name: branched-chain amino-acid anion namespace: chebi_ontology def: "A branched-chain amino acid whose alpha-carboxylic acid group is ionized." [] subset: 3_STAR synonym: "branched-chain amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:22918 ! branched-chain amino acid [Term] id: CHEBI:63473 name: aromatic amino-acid anion namespace: chebi_ontology def: "An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated)." [] subset: 3_STAR synonym: "aromatic amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33856 ! aromatic amino acid [Term] id: CHEBI:63551 name: carbohydrate acid derivative anion namespace: chebi_ontology def: "A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative." [] subset: 3_STAR synonym: "carbohydrate acid anion derivative" RELATED [ChEBI] synonym: "carbohydrate acid anion derivatives" RELATED [ChEBI] synonym: "carbohydrate acid derivative anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: has_functional_parent CHEBI:33721 ! carbohydrate acid anion relationship: is_conjugate_base_of CHEBI:63436 ! carbohydrate acid derivative [Term] id: CHEBI:63674 name: EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor namespace: chebi_ontology def: "An EC 2.6.1.* (transaminase) inhibitor that interferes with the action of 4-aminobutyrate--2-oxoglutarate transaminase (EC 2.6.1.19)." [] subset: 3_STAR synonym: "4-aminobutanoate:2-oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "4-aminobutanoate:2-oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate aminotransferase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate aminotransferase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate transaminase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate transaminase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate--2-ketoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate--2-ketoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate--2-oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate--2-oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate--2-oxoglutarate transaminase (EC 2.6.1.19) inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate--2-oxoglutarate transaminase (EC 2.6.1.19) inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate--2-oxoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate--2-oxoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyrate-2-oxoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyrate-2-oxoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyric acid 2-ketoglutaric acid aminotransferase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyric acid 2-ketoglutaric acid aminotransferase inhibitors" RELATED [ChEBI] synonym: "4-aminobutyric acid aminotransferase inhibitor" RELATED [ChEBI] synonym: "4-aminobutyric acid aminotransferase inhibitors" RELATED [ChEBI] synonym: "aminobutyrate aminotransferase inhibitor" RELATED [ChEBI] synonym: "aminobutyrate aminotransferase inhibitors" RELATED [ChEBI] synonym: "aminobutyrate transaminase inhibitor" RELATED [ChEBI] synonym: "aminobutyrate transaminase inhibitors" RELATED [ChEBI] synonym: "beta-alanine aminotransferase inhibitor" RELATED [ChEBI] synonym: "beta-alanine aminotransferase inhibitors" RELATED [ChEBI] synonym: "beta-alanine--oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "beta-alanine--oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "beta-alanine--oxoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "beta-alanine--oxoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitors" RELATED [ChEBI] synonym: "EC 2.6.1.19 inhibitor" RELATED [ChEBI] synonym: "EC 2.6.1.19 inhibitors" RELATED [ChEBI] synonym: "GABA aminotransferase inhibitor" RELATED [ChEBI] synonym: "GABA aminotransferase inhibitors" RELATED [ChEBI] synonym: "GABA transaminase inhibitor" RELATED [ChEBI] synonym: "GABA transaminase inhibitors" RELATED [ChEBI] synonym: "GABA transferase inhibitor" RELATED [ChEBI] synonym: "GABA transferase inhibitors" RELATED [ChEBI] synonym: "GABA--2-oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "GABA--2-oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "GABA--2-oxoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "GABA--2-oxoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "GABA--alpha-ketoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "GABA--alpha-ketoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "GABA--alpha-ketoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "GABA--alpha-ketoglutaric acid transaminase inhibitor" RELATED [ChEBI] synonym: "GABA--alpha-ketoglutaric acid transaminase inhibitors" RELATED [ChEBI] synonym: "GABA--alpha-oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "GABA--alpha-oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "GABA--oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "GABA--oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "GABA--oxoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "GABA--oxoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "GabT inhibitor" RELATED [ChEBI] synonym: "GabT inhibitors" RELATED [ChEBI] synonym: "gamma-amino-N-butyrate transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-amino-N-butyrate transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyrate aminotransaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyrate aminotransaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyrate transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyrate transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyrate--alpha-ketoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyrate--alpha-ketoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyrate--alpha-ketoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyrate--alpha-ketoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyrate:alpha-oxoglutarate aminotransferase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyrate:alpha-oxoglutarate aminotransferase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric acid aminotransferase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric acid aminotransferase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric acid pyruvate transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric acid pyruvate transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric acid transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric acid transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric acid--2-oxoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric acid--2-oxoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric acid--alpha-ketoglutarate transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric acid--alpha-ketoglutarate transaminase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric acid--alpha-ketoglutaric acid aminotransferase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric acid--alpha-ketoglutaric acid aminotransferase inhibitors" RELATED [ChEBI] synonym: "gamma-aminobutyric transaminase inhibitor" RELATED [ChEBI] synonym: "gamma-aminobutyric transaminase inhibitors" RELATED [ChEBI] synonym: "glutamate--succinic semialdehyde transaminase inhibitor" RELATED [ChEBI] synonym: "glutamate--succinic semialdehyde transaminase inhibitors" RELATED [ChEBI] xref: Wikipedia:4-aminobutyrate_transaminase is_a: CHEBI:76879 ! EC 2.6.1.* (transaminase) inhibitor [Term] id: CHEBI:63726 name: neuroprotective agent namespace: chebi_ontology def: "Any compound that can be used for the treatment of neurodegenerative disorders." [] subset: 3_STAR synonym: "neuroprotectant" RELATED [ChEBI] synonym: "neuroprotectants" RELATED [ChEBI] synonym: "neuroprotective agents" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:63944 name: macrocyclic lactone namespace: chebi_ontology alt_id: CHEBI:50333 def: "Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule." [] subset: 3_STAR synonym: "macrocyclic lactones" RELATED [ChEBI] is_a: CHEBI:25000 ! lactone is_a: CHEBI:51026 ! macrocycle [Term] id: CHEBI:63963 name: metabotropic glutamate receptor antagonist namespace: chebi_ontology def: "An antagonist at the metabotropic glutamate receptor." [] subset: 3_STAR synonym: "metabotropic glutamate receptor antagonists" RELATED [ChEBI] synonym: "mGluR antagonist" RELATED [ChEBI] synonym: "mGluR antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:64047 name: food additive namespace: chebi_ontology def: "Any substance which is added to food to preserve or enhance its flavour and/or appearance." [] subset: 3_STAR synonym: "food additives" RELATED [ChEBI] xref: Wikipedia:Food_additive is_a: CHEBI:33232 ! application is_a: CHEBI:78295 ! food component [Term] id: CHEBI:64049 name: food acidity regulator namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "acidity regulator" RELATED [ChEBI] synonym: "acidity regulators" RELATED [ChEBI] synonym: "food acidity regulators" RELATED [ChEBI] synonym: "pH control agent" RELATED [ChEBI] synonym: "pH control agents" RELATED [ChEBI] xref: Wikipedia:Acidity_regulator is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:64102 name: AMPA receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates AMPA receptors." [] subset: 3_STAR synonym: "alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor agonist" RELATED [ChEBI] synonym: "AMPA receptor agonists" RELATED [ChEBI] synonym: "AMPAR agonist" RELATED [ChEBI] synonym: "quisqualate receptor agonist" RELATED [ChEBI] xref: Wikipedia:AMPA_receptor is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:64558 name: methionine zwitterion namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "2-ammonio-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "methionine" RELATED [UniProt] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16811 ! methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:64570 name: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1)." [] subset: 3_STAR synonym: "5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "allothreonine aldolase inhibitor" RELATED [ChEBI] synonym: "allothreonine aldolase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.2.1 inhibitors" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "L-serine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "L-serine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "L-threonine aldolase inhibitor" RELATED [ChEBI] synonym: "L-threonine aldolase inhibitors" RELATED [ChEBI] synonym: "serine aldolase inhibitor" RELATED [ChEBI] synonym: "serine aldolase inhibitors" RELATED [ChEBI] synonym: "serine hydroxymethylase inhibitor" RELATED [ChEBI] synonym: "serine hydroxymethylase inhibitors" RELATED [ChEBI] synonym: "serine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "serine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "serine transhydroxymethylase inhibitor" RELATED [ChEBI] synonym: "serine transhydroxymethylase inhibitors" RELATED [ChEBI] synonym: "threonine aldolase inhibitor" RELATED [ChEBI] synonym: "threonine aldolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glycine_hydroxymethyltransferase is_a: CHEBI:76874 ! EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor [Term] id: CHEBI:64571 name: NMDA receptor agonist namespace: chebi_ontology def: "An excitatory amino acid agonist which binds to NMDA receptors and triggers a response." [] subset: 3_STAR synonym: "N-methyl-D-aspartate receptor agonist" RELATED [ChEBI] synonym: "N-methyl-D-aspartate receptor agonists" RELATED [ChEBI] synonym: "NMDA receptor agonists" RELATED [ChEBI] synonym: "NMDAR agonist" RELATED [ChEBI] synonym: "NMDAR agonists" RELATED [ChEBI] is_a: CHEBI:50103 ! excitatory amino acid agonist [Term] id: CHEBI:64577 name: flour treatment agent namespace: chebi_ontology def: "A food additive which is added to flour or dough to improve baking quality and/or colour." [] subset: 3_STAR synonym: "dough improver" RELATED [ChEBI] synonym: "dough improvers" RELATED [ChEBI] synonym: "flour treatment agent" EXACT [ChEBI] synonym: "improving agent" RELATED [ChEBI] synonym: "improving agents" RELATED [ChEBI] xref: Wikipedia:Flour_treatment_agent is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:64618 name: phosphagen namespace: chebi_ontology def: "Any of a group of guanidine or amidine phosphates that function as storage depots for high-energy phosphate in muscle with the purpose of regenerating ATP from ADP during muscular contraction." [] subset: 3_STAR xref: Wikipedia:Phosphagen is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:64641 name: divalent inorganic cation namespace: chebi_ontology def: "An inorganic cation with a valency of two." [] subset: 3_STAR is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:64708 name: one-carbon compound namespace: chebi_ontology def: "An organic molecular entity containing a single carbon atom (C1)." [] subset: 3_STAR synonym: "one-carbon compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:64709 name: organic acid namespace: chebi_ontology def: "Any organic molecular entity that is acidic and contains carbon in covalent linkage." [] subset: 3_STAR synonym: "organic acids" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:64909 name: poison namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "poisonous agent" RELATED [ChEBI] synonym: "poisonous agents" RELATED [ChEBI] synonym: "poisonous substance" RELATED [ChEBI] synonym: "poisonous substances" RELATED [ChEBI] synonym: "poisons" RELATED [ChEBI] synonym: "toxic agent" RELATED [ChEBI] synonym: "toxic agents" RELATED [ChEBI] synonym: "toxic substance" RELATED [ChEBI] synonym: "toxic substances" RELATED [ChEBI] xref: Wikipedia:Poison is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:64912 name: antimycobacterial drug namespace: chebi_ontology def: "A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy." [] subset: 3_STAR synonym: "antimycobacterial agent" RELATED [ChEBI] synonym: "antimycobacterial agents" RELATED [ChEBI] synonym: "antimycobacterial drugs" RELATED [ChEBI] synonym: "antimycobacterials" RELATED [ChEBI] synonym: "antimycobacterium" RELATED [ChEBI] is_a: CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:64946 name: anti-HIV agent namespace: chebi_ontology def: "An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus." [] subset: 3_STAR synonym: "anti-AIDS agent" RELATED [ChEBI] synonym: "anti-AIDS agents" RELATED [ChEBI] synonym: "anti-HIV agents" RELATED [ChEBI] is_a: CHEBI:22587 ! antiviral agent [Term] id: CHEBI:64952 name: anti-HSV agent namespace: chebi_ontology def: "An antiviral agent that destroys or inhibits the replication of the herpes simplex virus (also known as the human herpes virus)." [] subset: 3_STAR synonym: "anti-herpes simplex virus agent" RELATED [ChEBI] synonym: "anti-herpes simplex virus agents" RELATED [ChEBI] synonym: "anti-HHV agent" RELATED [ChEBI] synonym: "anti-HHV agents" RELATED [ChEBI] synonym: "anti-HSV agents" RELATED [ChEBI] synonym: "anti-human herpes virus agent" RELATED [ChEBI] synonym: "anti-human herpes virus agents" RELATED [ChEBI] xref: Wikipedia:Herpes_simplex_virus is_a: CHEBI:22587 ! antiviral agent [Term] id: CHEBI:64953 name: anti-HSV-1 agent namespace: chebi_ontology def: "An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1." [] subset: 3_STAR synonym: "anti-HHV-1 agent" RELATED [ChEBI] synonym: "anti-HHV-1 agents" RELATED [ChEBI] synonym: "anti-HHV-I agent" RELATED [ChEBI] synonym: "anti-HHV-I agents" RELATED [ChEBI] synonym: "anti-HSV-1 agents" RELATED [ChEBI] synonym: "anti-HSV-I agent" RELATED [ChEBI] synonym: "anti-HSV-I agents" RELATED [ChEBI] synonym: "anti-human herpes virus-1 agent" RELATED [ChEBI] synonym: "anti-human herpes virus-1 agents" RELATED [ChEBI] synonym: "anti-human herpes virus-I agent" RELATED [ChEBI] synonym: "anti-human herpes virus-I agents" RELATED [ChEBI] is_a: CHEBI:64952 ! anti-HSV agent [Term] id: CHEBI:64954 name: anti-HSV-2 agent namespace: chebi_ontology def: "An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-2." [] subset: 3_STAR synonym: "anti-HHV-2 agent" RELATED [ChEBI] synonym: "anti-HHV-2 agents" RELATED [ChEBI] synonym: "anti-HHV-II agent" RELATED [ChEBI] synonym: "anti-HHV-II agents" RELATED [ChEBI] synonym: "anti-HSV-2 agents" RELATED [ChEBI] synonym: "anti-HSV-II agent" RELATED [ChEBI] synonym: "anti-HSV-II agents" RELATED [ChEBI] synonym: "anti-human herpes virus-2 agent" RELATED [ChEBI] synonym: "anti-human herpes virus-2 agents" RELATED [ChEBI] synonym: "anti-human herpes virus-II agent" RELATED [ChEBI] synonym: "anti-human herpes virus-II agents" RELATED [ChEBI] is_a: CHEBI:64952 ! anti-HSV agent [Term] id: CHEBI:65023 name: anti-asthmatic agent namespace: chebi_ontology def: "Any compound that has anti-asthmatic effects." [] subset: 3_STAR synonym: "anti-asthmatic agents" RELATED [ChEBI] synonym: "antiasthmatic agent" RELATED [ChEBI] synonym: "antiasthmatic agents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:65190 name: first generation antipsychotic namespace: chebi_ontology def: "Antipsychotic drugs which can have different modes of action but which tend to be more likely than second generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements; such body movements can become permanent even after treatment has ceased." [] subset: 3_STAR synonym: "first generation antipsychotic agent" RELATED [ChEBI] synonym: "first generation antipsychotic agents" RELATED [ChEBI] synonym: "first generation antipsychotic drug" RELATED [ChEBI] synonym: "first generation antipsychotic drugs" RELATED [ChEBI] synonym: "first generation antipsychotics" RELATED [ChEBI] synonym: "typical antipsychotic" RELATED [ChEBI] synonym: "typical antipsychotic agent" RELATED [ChEBI] synonym: "typical antipsychotic agents" RELATED [ChEBI] synonym: "typical antipsychotic drug" RELATED [ChEBI] synonym: "typical antipsychotic drugs" RELATED [ChEBI] synonym: "typical antipsychotics" RELATED [ChEBI] xref: Wikipedia:Typical_antipsychotic is_a: CHEBI:35476 ! antipsychotic agent [Term] id: CHEBI:65191 name: second generation antipsychotic namespace: chebi_ontology def: "Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements." [] subset: 3_STAR synonym: "atypical antipsychotic" RELATED [ChEBI] synonym: "atypical antipsychotic agent" RELATED [ChEBI] synonym: "atypical antipsychotic agents" RELATED [ChEBI] synonym: "atypical antipsychotic drug" RELATED [ChEBI] synonym: "atypical antipsychotic drugs" RELATED [ChEBI] synonym: "atypical antipsychotics" RELATED [ChEBI] synonym: "second generation antipsychotic agent" RELATED [ChEBI] synonym: "second generation antipsychotic agents" RELATED [ChEBI] synonym: "second generation antipsychotic drug" RELATED [ChEBI] synonym: "second generation antipsychotic drugs" RELATED [ChEBI] synonym: "second generation antipsychotics" RELATED [ChEBI] is_a: CHEBI:35476 ! antipsychotic agent [Term] id: CHEBI:65212 name: polysaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is any derivative of a polysaccharide." [] subset: 3_STAR synonym: "polysaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:167559 ! glycan is_a: CHEBI:33694 ! biomacromolecule is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:18154 ! polysaccharide [Term] id: CHEBI:65255 name: food preservative namespace: chebi_ontology def: "Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes." [] subset: 3_STAR synonym: "food preservatives" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:65256 name: antimicrobial food preservative namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "antimicrobial food preservatives" RELATED [ChEBI] synonym: "antimicrobial preservative" RELATED [ChEBI] synonym: "antimicrobial preservatives" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:65259 name: GABA antagonist namespace: chebi_ontology def: "A compound that inhibits the action of gamma-aminobutyric acid." [] subset: 3_STAR synonym: "GABA antagonists" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor antagonist" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor antagonists" RELATED [ChEBI] xref: Wikipedia:GABA_antagonist is_a: CHEBI:48706 ! antagonist is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:65265 name: antacid namespace: chebi_ontology def: "Any substance which is used to neutralise stomach acidity." [] subset: 3_STAR synonym: "antacids" RELATED [ChEBI] xref: Wikipedia:Antacid is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:65296 name: primary ammonium ion namespace: chebi_ontology def: "An ammonium ion derivative resulting from the protonation of the nitrogen atom of a primary amino compound. Major species at pH 7.3." [] subset: 3_STAR synonym: "a primary amine" RELATED [UniProt] synonym: "substituted ammonium" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:50994 ! primary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][*]" xsd:string [Term] id: CHEBI:66922 name: citrullinate namespace: chebi_ontology def: "An alpha-amino acid anion that is the conjugate base of citrulline, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-5-(carbamoylamino)pentanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:18211 ! citrulline property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12N3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RHGKLRLOHDJJDR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.17780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.08841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=O)C([O-])=O" xsd:string [Term] id: CHEBI:66924 name: creatinate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of creatine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(N-methylcarbamimidamido)acetate" RELATED [ChEBI] synonym: "N-[amino(imino)methyl]-N-methylglycinate" RELATED [ChEBI] synonym: "{[imino(amino)methyl](methyl)amino}acetate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:16919 ! creatine relationship: is_conjugate_base_of CHEBI:57947 ! creatine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CVSVTCORWBXHQV-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.06220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC([O-])=O)C(N)=N" xsd:string [Term] id: CHEBI:66956 name: antidyskinesia agent namespace: chebi_ontology def: "Any compound which can be used to treat or alleviate the symptoms of dyskinesia." [] subset: 3_STAR synonym: "antidyskinesia agents" RELATED [ChEBI] synonym: "antidyskinesia drug" RELATED [ChEBI] synonym: "antidyskinesia drugs" RELATED [ChEBI] synonym: "antidyskinetic agent" RELATED [ChEBI] synonym: "antidyskinetic agents" RELATED [ChEBI] synonym: "antidyskinetic drug" RELATED [ChEBI] synonym: "antidyskinetic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:66981 name: ophthalmology drug namespace: chebi_ontology def: "Any compound used for the treatment of eye conditions or eye diseases." [] subset: 3_STAR synonym: "ophthalmic" RELATED [ChEBI] synonym: "ophthalmic agent" RELATED [ChEBI] synonym: "ophthalmic agents" RELATED [ChEBI] synonym: "ophthalmics" RELATED [ChEBI] synonym: "ophthalmological" RELATED [ChEBI] synonym: "ophthalmologicals" RELATED [ChEBI] synonym: "ophthalmology agent" RELATED [ChEBI] synonym: "ophthalmology agents" RELATED [ChEBI] synonym: "ophthalmology drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:67011 name: folates namespace: chebi_ontology def: "An N-acyl-L-alpha-amino acid anion obtained by deprotonation of any folic acid." [] subset: 3_STAR synonym: "folate" RELATED [ChEBI] synonym: "folate anion" RELATED [ChEBI] synonym: "folate anions" RELATED [ChEBI] is_a: CHEBI:176842 ! vitamin B9 is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:37445 ! folic acids [Term] id: CHEBI:67013 name: methyl-branched fatty acid anion namespace: chebi_ontology def: "Any branched-chain fatty acid anion containing methyl branches only." [] subset: 3_STAR synonym: "methyl-branched fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58955 ! branched-chain fatty acid anion relationship: is_conjugate_base_of CHEBI:62499 ! methyl-branched fatty acid [Term] id: CHEBI:67040 name: S-adenosyl-L-methioninate namespace: chebi_ontology def: "A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group." [] subset: 3_STAR synonym: "[(3S)-3-amino-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonioacetate" EXACT IUPAC_NAME [IUPAC] synonym: "AdoMet" RELATED [KEGG_COMPOUND] synonym: "S-Adenosylmethionine" RELATED [KEGG_COMPOUND] synonym: "SAM" RELATED [KEGG_COMPOUND] xref: CAS:29908-03-0 {source="KEGG COMPOUND"} xref: Drug_Central:2414 {source="DrugCentral"} xref: KEGG:C00019 xref: KNApSAcK:C00007347 xref: PDBeChem:SAM xref: PMID:25628954 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35282 ! sulfonium betaine relationship: has_functional_parent CHEBI:32631 ! L-methioninate relationship: is_conjugate_base_of CHEBI:15414 ! S-adenosyl-L-methionine relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H22N6O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEFKEPWMEQBLKI-AIRLBKTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "398.43700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "398.13724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" xsd:string [Term] id: CHEBI:67079 name: anti-inflammatory agent namespace: chebi_ontology def: "Any compound that has anti-inflammatory effects." [] subset: 3_STAR synonym: "anti-inflammatory agents" RELATED [ChEBI] synonym: "antiinflammatory agent" RELATED [ChEBI] synonym: "antiinflammatory agents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:67200 name: provitamin A namespace: chebi_ontology def: "A provitamin that can be converted into vitamin A by enzymes from animal tissues." [] subset: 3_STAR synonym: "provitamin As" RELATED [ChEBI] is_a: CHEBI:50188 ! provitamin [Term] id: CHEBI:67273 name: monohydroxy-1,4-benzoquinones namespace: chebi_ontology def: "Any 1,4-benzoquinone carrying a single hydroxy substituent." [] subset: 3_STAR synonym: "2-hydroxy-1,4-benzoquinones" RELATED [ChEBI] synonym: "hydroxy-1,4-benzoquinone" RELATED [ChEBI] synonym: "hydroxy-1,4-benzoquinones" RELATED [ChEBI] synonym: "hydroxybenzoquinone" RELATED [ChEBI] synonym: "hydroxybenzoquinones" RELATED [ChEBI] synonym: "monohydroxybenzoquinones" RELATED [ChEBI] is_a: CHEBI:132124 ! 1,4-benzoquinones is_a: CHEBI:71648 ! hydroxybenzoquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HO3R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.07030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.99257" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=C([*])C(=O)C([*])=C([*])C1=O" xsd:string [Term] id: CHEBI:68452 name: azole namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "azoles" RELATED [ChEBI] xref: Wikipedia:Azole is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38179 ! monocyclic heteroarene [Term] id: CHEBI:68563 name: P2Y12 receptor antagonist namespace: chebi_ontology def: "An antagonist at the P2Y12 receptor" [] subset: 3_STAR synonym: "ADP receptor subtype P2Y12 antagonist" RELATED [ChEBI] synonym: "ADP receptor subtype P2Y12 antagonists" RELATED [ChEBI] synonym: "P2Y12 receptor antagonists" RELATED [ChEBI] synonym: "purinergic receptor subtype P2Y12 antagonist" RELATED [ChEBI] synonym: "purinergic receptor subtype P2Y12 antagonists" RELATED [ChEBI] xref: Wikipedia:P2Y12 is_a: CHEBI:91079 ! purinergic receptor P2 antagonist [Term] id: CHEBI:71014 name: AMPA receptor antagonist namespace: chebi_ontology def: "An antagonist at the AMPA receptor." [] subset: 3_STAR synonym: "alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor antagonist" RELATED [ChEBI] synonym: "alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor antagonists" RELATED [ChEBI] synonym: "AMPA receptor antagonists" RELATED [ChEBI] xref: Wikipedia:AMPA_receptor is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:71300 name: EC 2.* (transferase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)" [] subset: 3_STAR synonym: "EC 2 inhibitor" RELATED [ChEBI] synonym: "EC 2 inhibitors" RELATED [ChEBI] synonym: "EC 2.* (transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.* inhibitors" RELATED [ChEBI] synonym: "transferase inhibitor" RELATED [ChEBI] synonym: "transferase inhibitors" RELATED [ChEBI] xref: Wikipedia:Transferase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:71392 name: tetracycline(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group." [] subset: 3_STAR synonym: "(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate" EXACT IUPAC_NAME [IUPAC] synonym: "tetracycline anion" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:27902 ! tetracycline relationship: is_conjugate_base_of CHEBI:77932 ! tetracycline zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H23N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p-1/t9-,10-,15-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFVLGDICTFRJMM-WESIUVDSSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "443.42660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "443.14599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C" xsd:string [Term] id: CHEBI:71648 name: hydroxybenzoquinone namespace: chebi_ontology def: "Benzoquinones with at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxybenzoquinones" RELATED [ChEBI] is_a: CHEBI:132130 ! hydroxyquinone is_a: CHEBI:22729 ! benzoquinones is_a: CHEBI:33823 ! enol [Term] id: CHEBI:71666 name: gamma-amino acid anion namespace: chebi_ontology def: "An amino-acid anion in which the amino group is situated gamma- to the carboxylate group." [] subset: 3_STAR synonym: "gamma-amino acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33707 ! gamma-amino acid [Term] id: CHEBI:72571 name: pro-angiogenic agent namespace: chebi_ontology alt_id: CHEBI:50927 def: "Any compound that promotes the growth of new blood vessels from pre-existing vessels." [] subset: 3_STAR synonym: "angiogenesis inducing agent" RELATED [ChEBI] synonym: "angiogenesis inducing agents" RELATED [ChEBI] synonym: "pro-angiogenic agents" RELATED [ChEBI] synonym: "proangiogenic agent" RELATED [ChEBI] synonym: "proangiogenic agents" RELATED [ChEBI] is_a: CHEBI:50926 ! angiogenesis modulating agent [Term] id: CHEBI:72695 name: organic molecule namespace: chebi_ontology def: "Any molecule that consists of at least one carbon atom as part of the electrically neutral entity." [] subset: 3_STAR synonym: "organic compound" RELATED [ChEBI] synonym: "organic compounds" RELATED [ChEBI] synonym: "organic molecules" RELATED [ChEBI] is_a: CHEBI:25367 ! molecule is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:72813 name: exopolysaccharide namespace: chebi_ontology def: "A biomacromolecule composed of carbohydrate residues which is secreted by a microorganism into the surrounding environment." [] subset: 3_STAR synonym: "exopolysaccharides" RELATED [ChEBI] synonym: "extracellular polymeric substance" RELATED [ChEBI] synonym: "extracellular polymeric substances" RELATED [ChEBI] xref: MetaCyc:Exopolysaccharides xref: PMID:11160795 {source="Europe PMC"} xref: PMID:11785425 {source="Europe PMC"} xref: PMID:1444258 {source="Europe PMC"} xref: PMID:15738217 {source="Europe PMC"} xref: PMID:16075348 {source="Europe PMC"} xref: PMID:17440912 {source="Europe PMC"} xref: PMID:18097339 {source="Europe PMC"} xref: PMID:19453747 {source="Europe PMC"} xref: PMID:20172021 {source="Europe PMC"} xref: PMID:20631870 {source="Europe PMC"} xref: PMID:20718297 {source="Europe PMC"} xref: PMID:2688547 {source="Europe PMC"} xref: PMID:6354590 {source="Europe PMC"} xref: Wikipedia:Exopolysaccharide xref: Wikipedia:Extracellular_polymeric_substance is_a: CHEBI:33694 ! biomacromolecule [Term] id: CHEBI:73336 name: vulnerary namespace: chebi_ontology def: "A drug used in treating and healing of wounds." [] subset: 3_STAR synonym: "vulneraries" RELATED [ChEBI] synonym: "wound-healing agent" RELATED [ChEBI] synonym: "wound-healing agents" RELATED [ChEBI] synonym: "wound-healing drug" RELATED [ChEBI] synonym: "wound-healing drugs" RELATED [ChEBI] xref: Wikipedia:Wound_healing is_a: CHEBI:23888 ! drug [Term] id: CHEBI:74529 name: antidote to paracetamol poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen)." [] subset: 3_STAR synonym: "acetaminophen poisoning antidote" RELATED [ChEBI] synonym: "acetaminophen poisoning antidotes" RELATED [ChEBI] synonym: "antidote to acetaminophen poisoning" RELATED [ChEBI] synonym: "antidote to Tylenol poisoning" RELATED [ChEBI] synonym: "antidotes to acetaminophen poisoning" RELATED [ChEBI] synonym: "antidotes to paracetamol poisoning" RELATED [ChEBI] synonym: "antidotes to Tylenol poisoning" RELATED [ChEBI] synonym: "paracetamol poisoning antidote" RELATED [ChEBI] synonym: "paracetamol poisoning antidotes" RELATED [ChEBI] synonym: "Tylenol poisoning antidote" RELATED [ChEBI] synonym: "Tylenol poisoning antidotes" RELATED [ChEBI] xref: PMID:16354242 {source="Europe PMC"} xref: PMID:16573399 {source="Europe PMC"} xref: PMID:16575097 {source="Europe PMC"} xref: PMID:22348679 {source="Europe PMC"} xref: PMID:22352734 {source="Europe PMC"} xref: PMID:22353666 {source="Europe PMC"} xref: PMID:22835053 {source="Europe PMC"} xref: PMID:22998987 {source="Europe PMC"} xref: PMID:7112203 {source="Europe PMC"} is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:74530 name: antidote to curare poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralize the deleterious effects of curare." [] subset: 3_STAR synonym: "antidote to curare" RELATED [ChEBI] synonym: "antidote to tubocurarine" RELATED [ChEBI] synonym: "antidote to tubocurarine poisoning" RELATED [ChEBI] synonym: "antidotes to curare" RELATED [ChEBI] synonym: "antidotes to curare poisoning" RELATED [ChEBI] synonym: "antidotes to tubocurarine" RELATED [ChEBI] synonym: "antidotes to tubocurarine poisoning" RELATED [ChEBI] synonym: "curare antidote" RELATED [ChEBI] synonym: "curare antidotes" RELATED [ChEBI] synonym: "curare poisoning antidote" RELATED [ChEBI] synonym: "curare poisoning antidotes" RELATED [ChEBI] synonym: "tubocurarine antidote" RELATED [ChEBI] synonym: "tubocurarine antidotes" RELATED [ChEBI] xref: PMID:13358565 {source="Europe PMC"} xref: PMID:13386996 {source="Europe PMC"} xref: PMID:14128111 {source="Europe PMC"} xref: PMID:1579914 {source="Europe PMC"} xref: PMID:3896015 {source="Europe PMC"} xref: PMID:5333582 {source="Europe PMC"} xref: PMID:5352084 {source="Europe PMC"} xref: PMID:7720787 {source="Europe PMC"} is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:74783 name: astringent namespace: chebi_ontology def: "A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions." [] subset: 3_STAR synonym: "adstringent" RELATED [ChEBI] synonym: "adstringents" RELATED [ChEBI] synonym: "astringents" RELATED [ChEBI] xref: Wikipedia:Astringent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:74818 name: heteroaryl hydroxy compound namespace: chebi_ontology def: "Any organic aromatic compound having one or more hydroxy groups attached to a heteroarene ring." [] subset: 3_STAR synonym: "hetaryl hydroxy compound" RELATED [ChEBI] synonym: "hetaryl hydroxy compounds" RELATED [ChEBI] synonym: "heteroaromatic hydroxy compound" RELATED [ChEBI] synonym: "heteroaromatic hydroxy compounds" RELATED [ChEBI] synonym: "heteroaryl hydroxy compounds" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:75600 name: EC 6.3.* (C-N bond-forming ligase) inhibitor namespace: chebi_ontology def: "A ligase inhibitor that interferes with the action of a C-N bond-forming ligase (EC 6.3.*.*)." [] subset: 3_STAR synonym: "C--N bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C--N bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "C-N bond-forming ligase (EC 6.3.*) inhibitor" RELATED [ChEBI] synonym: "C-N bond-forming ligase (EC 6.3.*) inhibitors" RELATED [ChEBI] synonym: "C-N bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C-N bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.3.* (C-N bond-forming ligase) inhibitorS" RELATED [ChEBI] synonym: "EC 6.3.* inhibitor" RELATED [ChEBI] synonym: "EC 6.3.* inhibitors" RELATED [ChEBI] synonym: "EC 6.3.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.3.*.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] id: CHEBI:75603 name: EC 6.* (ligase) inhibitor namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "EC 6.* (ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.* inhibitor" RELATED [ChEBI] synonym: "EC 6.* inhibitors" RELATED [ChEBI] synonym: "EC 6.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.*.*.* inhibitors" RELATED [ChEBI] synonym: "ligase inhibitor" RELATED [ChEBI] synonym: "ligase inhibitors" RELATED [ChEBI] xref: Wikipedia:Ligase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:75763 name: eukaryotic metabolite namespace: chebi_ontology def: "Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms." [] subset: 3_STAR synonym: "eukaryotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:75767 name: animal metabolite namespace: chebi_ontology alt_id: CHEBI:77721 alt_id: CHEBI:77743 def: "Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals." [] subset: 3_STAR synonym: "animal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:75768 name: mammalian metabolite namespace: chebi_ontology alt_id: CHEBI:77464 alt_id: CHEBI:77744 def: "Any animal metabolite produced during a metabolic reaction in mammals." [] subset: 3_STAR synonym: "mammalian metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:75769 name: B vitamin namespace: chebi_ontology def: "Any member 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 of 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)." [] subset: 3_STAR synonym: "B vitamins" RELATED [ChEBI] synonym: "B-group vitamin" RELATED [ChEBI] synonym: "B-group vitamins" RELATED [ChEBI] synonym: "vitamin B" RELATED [ChEBI] xref: MetaCyc:B-vitamins xref: PMID:22743781 {source="Europe PMC"} xref: PMID:23093174 {source="Europe PMC"} xref: PMID:23238962 {source="Europe PMC"} xref: PMID:23449527 {source="Europe PMC"} xref: PMID:23462586 {source="Europe PMC"} xref: PMID:23690582 {source="Europe PMC"} xref: Wikipedia:B_vitamin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: RO:0000087 CHEBI:27314 ! has role water-soluble vitamin (role) relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical [Term] id: CHEBI:75771 name: mouse metabolite namespace: chebi_ontology def: "Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus)." [] subset: 3_STAR synonym: "mouse metabolites" RELATED [ChEBI] synonym: "Mus musculus metabolite" RELATED [ChEBI] synonym: "Mus musculus metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:75772 name: Saccharomyces cerevisiae metabolite namespace: chebi_ontology alt_id: CHEBI:76949 alt_id: CHEBI:76951 def: "Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae)." [] subset: 3_STAR synonym: "baker's yeast metabolite" RELATED [ChEBI] synonym: "baker's yeast metabolites" RELATED [ChEBI] synonym: "baker's yeast secondary metabolite" RELATED [ChEBI] synonym: "baker's yeast secondary metabolites" RELATED [ChEBI] synonym: "S. cerevisiae metabolite" RELATED [ChEBI] synonym: "S. cerevisiae metabolites" RELATED [ChEBI] synonym: "S. cerevisiae secondary metabolite" RELATED [ChEBI] synonym: "S. cerevisiae secondary metabolites" RELATED [ChEBI] synonym: "Saccharomyces cerevisiae metabolites" RELATED [ChEBI] synonym: "Saccharomyces cerevisiae secondary metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:75782 name: vitamin B complex namespace: chebi_ontology def: "A mixture containing all eight of the B vitamins (B1, B2, B3, B5, B6, B7, B9, and B12). It is used as a dietary supplement and as a component of growth media for microorganisms." [] subset: 3_STAR synonym: "vitamin B mixture" RELATED [ChEBI] xref: Wikipedia:B_vitamin is_a: CHEBI:60004 ! mixture is_a: CHEBI:75769 ! B vitamin relationship: has_part CHEBI:15940 ! nicotinic acid relationship: has_part CHEBI:15956 ! biotin relationship: has_part CHEBI:17015 ! riboflavin relationship: has_part CHEBI:26948 ! vitamin B1 relationship: has_part CHEBI:27306 ! vitamin B6 relationship: has_part CHEBI:27470 ! folic acid relationship: has_part CHEBI:30411 ! cobalamin relationship: has_part CHEBI:46905 ! (R)-pantothenic acid [Term] id: CHEBI:75787 name: prokaryotic metabolite namespace: chebi_ontology def: "Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea." [] subset: 3_STAR synonym: "prokaryotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:75835 name: anti-anaemic agent namespace: chebi_ontology def: "A compound which increases either the number of red cells or the amount of haemoglobin in the blood." [] subset: 3_STAR synonym: "anti-anaemic agents" RELATED [ChEBI] synonym: "anti-anaemic drug" RELATED [ChEBI] synonym: "anti-anaemic drugs" RELATED [ChEBI] synonym: "anti-anemia agent" RELATED [ChEBI] synonym: "anti-anemia agents" RELATED [ChEBI] synonym: "anti-anemia drug" RELATED [ChEBI] synonym: "anti-anemia drugs" RELATED [ChEBI] synonym: "anti-anemic agent" RELATED [ChEBI] synonym: "anti-anemic agents" RELATED [ChEBI] synonym: "anti-anemic drug" RELATED [ChEBI] synonym: "anti-anemic drugs" RELATED [ChEBI] synonym: "antianaemia agent" RELATED [ChEBI] synonym: "antianaemia agents" RELATED [ChEBI] synonym: "antianaemia drug" RELATED [ChEBI] synonym: "antianaemia drugs" RELATED [ChEBI] synonym: "antianaemic agent" RELATED [ChEBI] synonym: "antianaemic agents" RELATED [ChEBI] synonym: "antianaemic drug" RELATED [ChEBI] synonym: "antianaemic drugs" RELATED [ChEBI] synonym: "antianemia drug" RELATED [ChEBI] synonym: "antianemia drugs" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:76042 name: aromatic amino-acid zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid." [] subset: 3_STAR synonym: "an aromatic amino-acid" RELATED [UniProt] synonym: "aromatic amino-acid zwitterions" RELATED [ChEBI] xref: MetaCyc:Aromatic-Amino-Acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33856 ! aromatic amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C([*])C([O-])=O" xsd:string [Term] id: CHEBI:76206 name: xenobiotic metabolite namespace: chebi_ontology def: "Any metabolite produced by metabolism of a xenobiotic compound." [] subset: 3_STAR synonym: "xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:76414 name: propellant namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "propellants" RELATED [ChEBI] xref: PMID:22519407 {source="Europe PMC"} xref: PMID:24001847 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] id: CHEBI:76507 name: marine metabolite namespace: chebi_ontology alt_id: CHEBI:77078 def: "Any metabolite produced during a metabolic reaction in marine macro- and microorganisms." [] subset: 3_STAR synonym: "marine metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:76567 name: polyunsaturated fatty acid anion namespace: chebi_ontology def: "Any unsaturated fatty acid anion containing more than one C-C unsaturated bond. Major species at pH 7.3." [] subset: 3_STAR synonym: "polyunsaturated fatty acid anions" RELATED [ChEBI] synonym: "PUFA" RELATED [SUBMITTER] is_a: CHEBI:2580 ! unsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:26208 ! polyunsaturated fatty acid [Term] id: CHEBI:76579 name: triradylglycerol namespace: chebi_ontology def: "A glycerol compound having one of three possible substituent groups - either acyl, alkyl, or alk-1-enyl - at each of the three possible positions sn-1, sn-2 or sn-3. has functional parent glycerol (CHEBI:17754), children: triglyceride (CHEBI:17855). Parent: is_a glycerolipid (CHEBI:35741)" [] subset: 2_STAR synonym: "triradylglycerols" RELATED [ChEBI] xref: LIPID_MAPS_class:LMGL0301 {source="SUBMITTER"} is_a: CHEBI:35741 ! glycerolipid [Term] id: CHEBI:76619 name: omega-methyl fatty acid anion namespace: chebi_ontology def: "A fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3." [] subset: 3_STAR synonym: "an omega-methyl fatty acid" RELATED [UniProt] is_a: CHEBI:28868 ! fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[*]C([O-])=O" xsd:string [Term] id: CHEBI:76655 name: EC 2.1.* (C1-transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*)." [] subset: 3_STAR synonym: "C1-transferase (EC 2.1.*) inhibitor" RELATED [ChEBI] synonym: "C1-transferase (EC 2.1.*) inhibitors" RELATED [ChEBI] synonym: "C1-transferase inhibitor" RELATED [ChEBI] synonym: "C1-transferase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.* (C1-transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.* inhibitors" RELATED [ChEBI] synonym: "one-carbon-containing group transferase inhibitor" RELATED [ChEBI] synonym: "one-carbon-containing group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76665 name: EC 2.6.* (nitrogenous group transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that inhibits a nitrogenous group transferase (EC 2.6.*.*)." [] subset: 3_STAR synonym: "EC 2.6.* inhibitor" RELATED [ChEBI] synonym: "EC 2.6.* inhibitors" RELATED [ChEBI] synonym: "nitrogenous group transferase (EC 2.6.*) inhibitor" RELATED [ChEBI] synonym: "nitrogenous group transferase (EC 2.6.*) inhibitors" RELATED [ChEBI] synonym: "nitrogenous group transferase inhibitor" RELATED [ChEBI] synonym: "nitrogenous group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76668 name: EC 2.7.* (P-containing group transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*)." [] subset: 3_STAR synonym: "EC 2.7.* (P-containing group transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.* (phosphorus-containing group transferase) inhibitor" RELATED [ChEBI] synonym: "EC 2.7.* (phosphorus-containing group transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.* inhibitors" RELATED [ChEBI] synonym: "phosphorus-containing group transferase (EC 2.7.*) inhibitor" RELATED [ChEBI] synonym: "phosphorus-containing group transferase (EC 2.7.*) inhibitors" RELATED [ChEBI] synonym: "phosphorus-containing group transferase inhibitor" RELATED [ChEBI] synonym: "phosphorus-containing group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76710 name: EC 4.* (lyase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation." [] subset: 3_STAR synonym: "EC 4.* (lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.* inhibitor" RELATED [ChEBI] synonym: "EC 4.* inhibitors" RELATED [ChEBI] synonym: "EC 4.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 4.*.*.* inhibitors" RELATED [ChEBI] synonym: "lyase (EC 4.*) inhibitor" RELATED [ChEBI] synonym: "lyase (EC 4.*) inhibitorS" RELATED [ChEBI] synonym: "lyase inhibitor" RELATED [ChEBI] synonym: "lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Lyase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76713 name: EC 4.3.* (C-N lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*)." [] subset: 3_STAR synonym: "C-N lyase (EC 4.3.*) inhibitor" RELATED [ChEBI] synonym: "C-N lyase (EC 4.3.*) inhibitors" RELATED [ChEBI] synonym: "C-N lyase inhibitor" RELATED [ChEBI] synonym: "C-N lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.* (C-N lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 4.3.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76725 name: EC 1.* (oxidoreductase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*)." [] subset: 3_STAR synonym: "EC 1.* (oxidoreductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase (EC 1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase (EC 1.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase inhibitor" RELATED [ChEBI] synonym: "oxidoreductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Oxidoreductase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76726 name: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-OH group of donors (EC 1.1.*.*)." [] subset: 3_STAR synonym: "EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.1.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-OH group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-OH group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-OH group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-OH group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76730 name: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH2 group of donors (EC 1.4.*.*)." [] subset: 3_STAR synonym: "EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor" EXACT [ChEBI] synonym: "EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.* inhibitor" RELATED [ChEBI] synonym: "EC 1.4.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH2 group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH2 group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH2 group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH2 group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donor inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donor inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76741 name: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on hydrogen as donors (EC 1.14.*.*)." [] subset: 3_STAR synonym: "EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76744 name: EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on CH or CH2 (EC 1.17.*.*)." [] subset: 3_STAR synonym: "EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.* inhibitor" RELATED [ChEBI] synonym: "EC 1.17.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76759 name: EC 3.* (hydrolase) inhibitor namespace: chebi_ontology def: "Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*)." [] subset: 3_STAR synonym: "EC 3.* (hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.* inhibitor" RELATED [ChEBI] synonym: "EC 3.* inhibitors" RELATED [ChEBI] synonym: "EC 3.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 3.*.*.* inhibitors" RELATED [ChEBI] synonym: "hydrolase (EC 3.*) inhibitor" RELATED [ChEBI] synonym: "hydrolase (EC 3.*) inhibitors" RELATED [ChEBI] synonym: "hydrolase inhibitor" RELATED [ChEBI] synonym: "hydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Hydrolase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76760 name: EC 3.1.* (ester hydrolase) inhibitor namespace: chebi_ontology def: "A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*)." [] subset: 3_STAR synonym: "EC 3.1.* (ester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.* inhibitors" RELATED [ChEBI] synonym: "ester hydrolase (EC 3.1.*) inhibitor" RELATED [ChEBI] synonym: "ester hydrolase (EC 3.1.*) inhibitors" RELATED [ChEBI] synonym: "ester hydrolase inhibitor" RELATED [ChEBI] synonym: "ester hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76764 name: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor namespace: chebi_ontology def: "Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*)." [] subset: 3_STAR synonym: "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76773 name: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*)." [] subset: 3_STAR synonym: "carboxylic ester hydrolase (EC 3.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxylic ester hydrolase (EC 3.1.1.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.* (carboxylic ester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] id: CHEBI:76782 name: EC 3.4.15.* (peptidyl-dipeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of a peptidyl dipeptidase (EC 3.4.15.*)." [] subset: 3_STAR synonym: "EC 3.4.15.* (peptidyl-dipeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.15.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.15.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of peptidyl-dipeptidases" RELATED [ChEBI] synonym: "inhibitor of peptidyl-dipeptidases (EC 3.4.15.*)" RELATED [ChEBI] synonym: "inhibitors of peptidyl-dipeptidases" RELATED [ChEBI] synonym: "inhibitors of peptidyl-dipeptidases (EC 3.4.15.*)" RELATED [ChEBI] synonym: "peptidyl-dipeptidase (EC 3.4.15.*) inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase (EC 3.4.15.*) inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptidase inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76807 name: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor namespace: chebi_ontology def: "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.*)." [] subset: 3_STAR synonym: "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.* inhibitors" RELATED [ChEBI] synonym: "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor" RELATED [ChEBI] synonym: "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] id: CHEBI:76815 name: EC 2.7.7.* (nucleotidyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*)." [] subset: 3_STAR synonym: "EC 2.7.7.* (nucleotidyltransferase) inhibitors" RELATED [ChEBI] synonym: "inhibitor of nucleotidyltransferases" RELATED [ChEBI] synonym: "inhibitor of nucleotidyltransferases (EC 2.7.7.*)" RELATED [ChEBI] synonym: "inhibitors of nucleotidyltransferases" RELATED [ChEBI] synonym: "inhibitors of nucleotidyltransferases (EC 2.7.7.*)" RELATED [ChEBI] synonym: "nucleotidyltransferase (EC 2.7.7.*) inhibitor" RELATED [ChEBI] synonym: "nucleotidyltransferase (EC 2.7.7.*) inhibitors" RELATED [ChEBI] synonym: "nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "nucleotidyltransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:76823 name: EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor namespace: chebi_ontology def: "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of any acid-ammonia (or amine) ligase (EC 6.3.1.*)." [] subset: 3_STAR synonym: "acid-ammonia (or amine) ligase inhibitor" RELATED [ChEBI] synonym: "acid-ammonia (or amine) ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 6.3.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75600 ! EC 6.3.* (C-N bond-forming ligase) inhibitor [Term] id: CHEBI:76832 name: EC 4.3.1.* (ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*)." [] subset: 3_STAR synonym: "ammonia-lyase (EC 4.3.1.*) inhibitor" RELATED [ChEBI] synonym: "ammonia-lyase (EC 4.3.1.*) inhibitors" RELATED [ChEBI] synonym: "ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyases) inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyases) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76713 ! EC 4.3.* (C-N lyase) inhibitor [Term] id: CHEBI:76835 name: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor that uses NAD(+) or NADP(+) as acceptor (EC 1.1.1.*)." [] subset: 3_STAR synonym: "EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76726 ! EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor [Term] id: CHEBI:76838 name: EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor namespace: chebi_ontology def: "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.*)." [] subset: 3_STAR synonym: "EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors" RELATED [ChEBI] synonym: "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" RELATED [ChEBI] synonym: "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" RELATED [ChEBI] synonym: "EC 1.14.14.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.14.* inhibitors" RELATED [ChEBI] synonym: "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" RELATED [ChEBI] synonym: "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" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76850 name: EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that interferes with the function of any such enzyme that uses oxygen as acceptor (EC 1.17.3.*)." [] subset: 3_STAR synonym: "EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.17.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 with oxygen as acceptor (EC 1.17.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 with oxygen as acceptor (EC 1.17.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76744 ! EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor [Term] id: CHEBI:76861 name: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor namespace: chebi_ontology def: "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.*)." [] subset: 3_STAR synonym: "EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76730 ! EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor [Term] id: CHEBI:76874 name: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor namespace: chebi_ontology def: "An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*)." [] subset: 3_STAR synonym: "EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.2.* inhibitors" RELATED [ChEBI] synonym: "hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor" RELATED [ChEBI] synonym: "hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] id: CHEBI:76879 name: EC 2.6.1.* (transaminase) inhibitor namespace: chebi_ontology def: "An EC 2.6.* (nitrogenous group transferase) inhibitor that inhibits the action of any transaminase (EC 2.6.1.*)." [] subset: 3_STAR synonym: "EC 2.6.1.* (transaminase) inhibitors" RELATED [ChEBI] synonym: "EC 2.6.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.6.1.* inhibitors" RELATED [ChEBI] synonym: "transaminase (EC 2.6.1.*) inhibitor" RELATED [ChEBI] synonym: "transaminase (EC 2.6.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76665 ! EC 2.6.* (nitrogenous group transferase) inhibitor [Term] id: CHEBI:76916 name: hyperglycemic agent namespace: chebi_ontology def: "A drug which increases the blood glucose level." [] subset: 3_STAR synonym: "diabetes inducer" RELATED [ChEBI] synonym: "hyperglycemic agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:76924 name: plant metabolite namespace: chebi_ontology alt_id: CHEBI:75766 alt_id: CHEBI:76925 def: "Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms." [] subset: 3_STAR synonym: "plant metabolites" RELATED [ChEBI] synonym: "plant secondary metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:76932 name: pathway inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that interferes with one or more steps in a metabolic pathway." [] subset: 3_STAR synonym: "metabolic pathway inhibitor" RELATED [ChEBI] synonym: "metabolic pathway inhibitors" RELATED [ChEBI] synonym: "pathway inhibitors" RELATED [ChEBI] is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76946 name: fungal metabolite namespace: chebi_ontology alt_id: CHEBI:75765 alt_id: CHEBI:76947 def: "Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds." [] subset: 3_STAR synonym: "fungal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:76967 name: human xenobiotic metabolite namespace: chebi_ontology def: "Any human metabolite produced by metabolism of a xenobiotic compound in humans." [] subset: 3_STAR synonym: "human xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:76206 ! xenobiotic metabolite is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:76969 name: bacterial metabolite namespace: chebi_ontology alt_id: CHEBI:75760 alt_id: CHEBI:76970 def: "Any prokaryotic metabolite produced during a metabolic reaction in bacteria." [] subset: 3_STAR is_a: CHEBI:75787 ! prokaryotic metabolite [Term] id: CHEBI:76971 name: Escherichia coli metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced during a metabolic reaction in Escherichia coli." [] subset: 3_STAR synonym: "E.coli metabolite" RELATED [ChEBI] synonym: "E.coli metabolites" RELATED [ChEBI] synonym: "Escherichia coli metabolites" RELATED [ChEBI] is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:77034 name: mucolytic namespace: chebi_ontology def: "A compound that alters the structure of mucus so as to decrease its viscosity and thereby facilitate its removal by ciliary action and expectoration. Compare with antitussives, which suppress the cough reflex, and expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing." [] subset: 3_STAR synonym: "mucolytics" RELATED [ChEBI] xref: PMID:17419975 {source="Europe PMC"} xref: PMID:17594730 {source="Europe PMC"} xref: PMID:20031934 {source="Europe PMC"} xref: PMID:2117172 {source="Europe PMC"} xref: PMID:22895919 {source="Europe PMC"} is_a: CHEBI:23888 ! drug [Term] id: CHEBI:77119 name: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "9-keto-prostaglandin E2 reductase inhibitor" RELATED [ChEBI] synonym: "9-keto-prostaglandin E2 reductase inhibitors" RELATED [ChEBI] synonym: "9-ketoprostaglandin reductase inhibitor" RELATED [ChEBI] synonym: "9-ketoprostaglandin reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.189 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.189 inhibitors" RELATED [ChEBI] synonym: "PGE-9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "PGE-9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "PGE2 9-oxoreductase inhibitor" RELATED [ChEBI] synonym: "PGE2 9-oxoreductase inhibitors" RELATED [ChEBI] synonym: "PGE2-9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "PGE2-9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "PGE2-9-OR inhibitor" RELATED [ChEBI] synonym: "PGE2-9-OR inhibitors" RELATED [ChEBI] synonym: "prostaglandin 9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin 9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin E 9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin E 9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin E2-9-oxoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin E2-9-oxoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor" RELATED [ChEBI] synonym: "prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors" RELATED [ChEBI] synonym: "reductase, 15-hydroxy-9-oxoprostaglandin inhibitor" RELATED [ChEBI] synonym: "reductase, 15-hydroxy-9-oxoprostaglandin inhibitors" RELATED [ChEBI] xref: Wikipedia:Prostaglandin-E2_9-reductase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:77182 name: food colouring namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "food coloring" RELATED [ChEBI] synonym: "food colorings" RELATED [ChEBI] synonym: "food colourings" RELATED [ChEBI] xref: Wikipedia:Food_coloring is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77608 name: loop diuretic namespace: chebi_ontology def: "A diuretic that acts on the ascending loop of Henle in the kidney." [] subset: 3_STAR synonym: "loop diuretics" RELATED [ChEBI] xref: Wikipedia:Loop_diuretic is_a: CHEBI:35498 ! diuretic [Term] id: CHEBI:77703 name: EC 4.3.1.3 (histidine ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3)." [] subset: 3_STAR synonym: "EC 4.3.1.3 (histidine ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.3 inhibitors" RELATED [ChEBI] synonym: "histidase inhibitor" RELATED [ChEBI] synonym: "histidase inhibitors" RELATED [ChEBI] synonym: "histidinase inhibitor" RELATED [ChEBI] synonym: "histidinase inhibitors" RELATED [ChEBI] synonym: "histidine alpha-deaminase inhibitor" RELATED [ChEBI] synonym: "histidine alpha-deaminase inhibitors" RELATED [ChEBI] synonym: "histidine ammonia-lyase (EC 4.3.1.3) inhibitor" RELATED [ChEBI] synonym: "histidine ammonia-lyase (EC 4.3.1.3) inhibitors" RELATED [ChEBI] synonym: "histidine ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "histidine ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase (urocanate-forming) inhibitor" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase (urocanate-forming) inhibitors" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Histidine_ammonia-lyase is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] id: CHEBI:77746 name: human metabolite namespace: chebi_ontology alt_id: CHEBI:75770 alt_id: CHEBI:77123 def: "Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens)." [] subset: 3_STAR synonym: "H. sapiens metabolite" RELATED [ChEBI] synonym: "H. sapiens metabolites" RELATED [ChEBI] synonym: "Homo sapiens metabolite" RELATED [ChEBI] synonym: "Homo sapiens metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:77932 name: tetracycline zwitterion namespace: chebi_ontology def: "A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate" EXACT IUPAC_NAME [IUPAC] synonym: "tetracycline" RELATED [UniProt] is_a: CHEBI:144644 ! a tetracycline zwitterion is_a: CHEBI:27369 ! zwitterion relationship: is_conjugate_acid_of CHEBI:71392 ! tetracycline(1-) relationship: is_conjugate_base_of CHEBI:27902 ! tetracycline relationship: RO:0000087 CHEBI:35820 ! has role antiprotozoal drug relationship: RO:0000087 CHEBI:36047 ! has role antibacterial drug relationship: RO:0000087 CHEBI:48001 ! has role protein synthesis inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H24N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFVLGDICTFRJMM-WESIUVDSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "444.43460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "444.15327" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)c1c(O)cccc1[C@@]3(C)O" xsd:string [Term] id: CHEBI:77941 name: EC 3.5.1.4 (amidase) inhibitor namespace: chebi_ontology def: "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)." [] subset: 3_STAR synonym: "acylamidase inhibitor" RELATED [ChEBI] synonym: "acylamidase inhibitors" RELATED [ChEBI] synonym: "acylamide amidohydrolase inhibitor" RELATED [ChEBI] synonym: "acylamide amidohydrolase inhibitors" RELATED [ChEBI] synonym: "amidase (EC 3.5.1.4) inhibitor" RELATED [ChEBI] synonym: "amidase (EC 3.5.1.4) inhibitors" RELATED [ChEBI] synonym: "amidase inhibitor" RELATED [ChEBI] synonym: "amidase inhibitors" RELATED [ChEBI] synonym: "amidohydrolase inhibitor" RELATED [ChEBI] synonym: "amidohydrolase inhibitors" RELATED [ChEBI] synonym: "deaminase inhibitor" RELATED [ChEBI] synonym: "deaminase inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.4 (amidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.4 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.4 inhibitors" RELATED [ChEBI] synonym: "fatty acylamidase inhibitor" RELATED [ChEBI] synonym: "fatty acylamidase inhibitors" RELATED [ChEBI] synonym: "N-acetylaminohydrolase inhibitor" RELATED [ChEBI] synonym: "N-acetylaminohydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Amidase is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:77960 name: food firming agent namespace: chebi_ontology def: "A food additive that is used to make or keep fruit or vegetable tissues firm and crisp. or which interacts with gelling agents such as pectin to produce or strengthen a gel." [] subset: 3_STAR synonym: "firming agent" RELATED [ChEBI] synonym: "firming agents" RELATED [ChEBI] synonym: "food firming agents" RELATED [ChEBI] xref: Wikipedia:Firming_agent is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77962 name: food antioxidant namespace: chebi_ontology def: "An antioxidant that used as a food additives to help guard against food deterioration." [] subset: 3_STAR synonym: "food antioxidants" RELATED [ChEBI] is_a: CHEBI:22586 ! antioxidant is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:77963 name: sequestrant namespace: chebi_ontology def: "A food preservative that acts by chelating with metal cations (particularly those of copper, iron and nickel) that catalyse the oxidation of fats in food." [] subset: 3_STAR synonym: "sequestrants" RELATED [ChEBI] xref: Wikipedia:Sequestrant is_a: CHEBI:38161 ! chelator is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:78017 name: food propellant namespace: chebi_ontology def: "A propellant that is used to expel foods from an aerosol container." [] subset: 3_STAR synonym: "food propellants" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive is_a: CHEBI:76414 ! propellant [Term] id: CHEBI:78060 name: docosahexaenoate namespace: chebi_ontology def: "A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR is_a: CHEBI:57560 ! long-chain fatty acid anion is_a: CHEBI:76567 ! polyunsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:36005 ! docosahexaenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.4803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.23241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78113 name: fatty acid anion 3:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 3:0" RELATED [UniProt] is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78115 name: fatty acid anion 4:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 4:0" RELATED [UniProt] is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58953 ! saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:140601 ! fatty acid 4:0 property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.09718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.04460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78116 name: fatty acid anion 6:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 6:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.15034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.07590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78123 name: fatty acid anion 16:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 16 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 16:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.41610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.23241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78236 name: N-acetyl-L-cysteinate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-acetamido-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "N-acetyl-L-cysteine" RELATED [UniProt] xref: MetaCyc:CPD-9175 {source="SUBMITTER"} xref: PMID:19268377 {source="SUBMITTER"} xref: Reaxys:6327823 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:28939 ! N-acetyl-L-cysteine relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:36044 ! has role antiviral drug relationship: RO:0000087 CHEBI:73336 ! has role vulnerary relationship: RO:0000087 CHEBI:74529 ! has role antidote to paracetamol poisoning relationship: RO:0000087 CHEBI:77034 ! has role mucolytic relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/p-1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWKSKIMOESPYIA-BYPYZUCNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.18700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.02304" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N[C@@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:78295 name: food component namespace: chebi_ontology def: "A physiological role played by 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." [] subset: 3_STAR synonym: "dietary component" RELATED [ChEBI] synonym: "dietary components" RELATED [ChEBI] synonym: "food components" RELATED [ChEBI] is_a: CHEBI:52211 ! physiological role [Term] id: CHEBI:78298 name: environmental contaminant namespace: chebi_ontology def: "Any minor or unwanted substance introduced into the environment that can have undesired effects." [] subset: 3_STAR synonym: "environmental contaminants" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:78433 name: refrigerant namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "refrigerants" RELATED [ChEBI] xref: Wikipedia:Refrigerant is_a: CHEBI:33232 ! application [Term] id: CHEBI:78608 name: alpha-amino acid zwitterion namespace: chebi_ontology alt_id: CHEBI:83409 def: "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." [] subset: 3_STAR synonym: "an alpha-amino acid" RELATED [UniProt] xref: MetaCyc:Alpha-Amino-Acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33704 ! alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C([*])C([O-])=O" xsd:string [Term] id: CHEBI:78616 name: carbohydrates and carbohydrate derivatives namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "carbohydrates and derivatives" RELATED [ChEBI] synonym: "carbohydrates and their derivatives" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:78631 name: chroman-6-ol namespace: chebi_ontology def: "A chromanol that is chromane in which the hydrogen at position 6 is replaced by a hydroxy group." [] subset: 3_STAR synonym: "3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-dihydrobenzopyran-6-ol" RELATED [ChEBI] xref: Reaxys:1283166 {source="Reaxys"} is_a: CHEBI:23229 ! chromanol is_a: CHEBI:33853 ! phenols relationship: has_parent_hydride CHEBI:33224 ! chromane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,10H,1-2,5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GZCJJOLJSBCUNR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.17450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc2OCCCc2c1" xsd:string [Term] id: CHEBI:78675 name: fundamental metabolite namespace: chebi_ontology def: "Any metabolite produced by all living cells." [] subset: 3_STAR synonym: "essential metabolite" RELATED [ChEBI] synonym: "essential metabolites" RELATED [ChEBI] synonym: "fundamental metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:78840 name: olefinic compound namespace: chebi_ontology def: "Any organic molecular entity that contains at least one C=C bond." [] subset: 3_STAR synonym: "olefinic compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:7896 name: hexadecanoate namespace: chebi_ontology alt_id: CHEBI:231736 def: "A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3." [] subset: 3_STAR synonym: "(16:0)" RELATED [ChEBI] synonym: "1-hexyldecanoate" RELATED [HMDB] synonym: "1-pentadecanecarboxylate" RELATED [ChEBI] synonym: "CH3-[CH2]14-COO(-)" RELATED [ChEBI] synonym: "hexadecanoate" EXACT [UniProt] synonym: "hexadecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "Hexadecanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "n-hexadecanoate" RELATED [ChEBI] synonym: "n-hexadecoate" RELATED [ChEBI] synonym: "palmitate" RELATED [ChEBI] synonym: "pentadecanecarboxylate" RELATED [ChEBI] xref: Beilstein:3589907 {source="Beilstein"} xref: CAS:143-20-4 {source="ChemIDplus"} xref: Gmelin:344266 {source="Gmelin"} xref: HMDB:HMDB0000220 xref: MetaCyc:PALMITATE xref: Reaxys:3589907 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:57560 ! long-chain fatty acid anion is_a: CHEBI:76619 ! omega-methyl fatty acid anion is_a: CHEBI:78123 ! fatty acid anion 16:0 is_a: CHEBI:83955 ! 2-saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:15756 ! hexadecanoic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "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" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IPCSVZSSVZVIGE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.41610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.23295" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:7916 name: pantothenic acid namespace: chebi_ontology def: "A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine." [] subset: 3_STAR synonym: "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine" RELATED [ChEBI] synonym: "Pantothenic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1727062 {source="Beilstein"} xref: CAS:599-54-2 {source="ChemIDplus"} xref: DrugBank:DB01783 xref: HMDB:HMDB0000210 xref: KEGG:C00864 xref: KEGG:D07413 xref: PMID:24727172 {source="Europe PMC"} xref: Reaxys:1727062 {source="Reaxys"} xref: Wikipedia:Pantothenic_acid is_a: CHEBI:25848 ! pantothenic acids relationship: is_conjugate_acid_of CHEBI:16454 ! pantothenate relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "219.23502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.11067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)C(O)C(=O)NCCC(O)=O" xsd:string [Term] id: CHEBI:79387 name: trivalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of three." [] subset: 3_STAR synonym: "trivalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79388 name: divalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of two." [] subset: 3_STAR synonym: "divalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79389 name: monovalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of one." [] subset: 3_STAR synonym: "monovalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:81667 name: 2-hydroxy-5-methylquinone namespace: chebi_ontology def: "A member of the class of monohydroxy-1,4-benzoquinones that is 2-hydroxy-1,4-benzoquinone carrying an additional methyl substituent at position 5." [] subset: 3_STAR synonym: "2-Hydroxy-5-methyl-1,4-benzoquinone" RELATED [KEGG_COMPOUND] synonym: "2-Hydroxy-5-methyl-p-benzoquinone" RELATED [ChemIDplus] synonym: "2-hydroxy-5-methylcyclohexa-2,5-diene-1,4-dione" EXACT IUPAC_NAME [IUPAC] xref: CAS:615-91-8 {source="KEGG COMPOUND"} xref: CAS:615-91-8 {source="ChemIDplus"} xref: KEGG:C18316 xref: MetaCyc:CPD-9135 xref: Reaxys:1861302 {source="Reaxys"} is_a: CHEBI:67273 ! monohydroxy-1,4-benzoquinones relationship: is_conjugate_acid_of CHEBI:88190 ! 2-oxido-5-methylquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BMBZVGUSOUAIMK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.121" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C(C(=CC(C1C)=O)O)=O" xsd:string [Term] id: CHEBI:82663 name: elemental iron namespace: chebi_ontology def: "An elemental molecular entity in which all of the atoms have atomic number 26." [] subset: 3_STAR is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:83038 name: Daphnia galeata metabolite namespace: chebi_ontology def: "A Daphnia metabolite produced by the species Daphnia galeata." [] subset: 3_STAR synonym: "Daphnia galeata metabolites" RELATED [ChEBI] is_a: CHEBI:83057 ! Daphnia metabolite [Term] id: CHEBI:83039 name: crustacean metabolite namespace: chebi_ontology def: "An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill." [] subset: 3_STAR synonym: "crustacean metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:83056 name: Daphnia magna metabolite namespace: chebi_ontology def: "A Daphnia metabolite produced by the species Daphnia magna." [] subset: 3_STAR synonym: "Daphnia magna metabolites" RELATED [ChEBI] is_a: CHEBI:83057 ! Daphnia metabolite [Term] id: CHEBI:83057 name: Daphnia metabolite namespace: chebi_ontology def: "A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia" [] subset: 3_STAR synonym: "Daphnia metabolites" RELATED [ChEBI] xref: Wikipedia:Daphnia is_a: CHEBI:83039 ! crustacean metabolite [Term] id: CHEBI:83811 name: proteinogenic amino acid derivative namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "canonical amino acid derivative" RELATED [ChEBI] synonym: "canonical amino acid derivatives" RELATED [ChEBI] synonym: "canonical amino-acid derivative" RELATED [ChEBI] synonym: "canonical amino-acid derivatives" RELATED [ChEBI] synonym: "proteinogenic amino acid derivatives" RELATED [ChEBI] synonym: "proteinogenic amino-acid derivative" RELATED [ChEBI] synonym: "proteinogenic amino-acid derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:83812 name: non-proteinogenic amino acid derivative namespace: chebi_ontology def: "Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom." [] subset: 3_STAR synonym: "non-canonical amino acid derivative" RELATED [ChEBI] synonym: "non-canonical amino-acid derivatives" RELATED [ChEBI] synonym: "non-proteinogenic amino-acid derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:83813 name: proteinogenic amino acid namespace: chebi_ontology def: "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." [] subset: 3_STAR synonym: "canonical amino acid" RELATED [ChEBI] synonym: "canonical amino acids" RELATED [ChEBI] synonym: "proteinogenic amino acids" RELATED [ChEBI] xref: Wikipedia:Prot