{ "graphs" : [ { "id" : "http://purl.obolibrary.org/obo/maxo.json", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.org/dc/elements/1.1/creator", "val" : "Leigh Carmody" }, { "pred" : "http://purl.org/dc/elements/1.1/creator", "val" : "Peter Robinson" }, { "pred" : "http://purl.org/dc/elements/1.1/description", "val" : "An ontology to represent medically relevant actions, procedures, therapies, interventions, and recommendations." }, { "pred" : "http://purl.org/dc/elements/1.1/title", "val" : "Medical Action Ontology" }, { "pred" : "http://purl.org/dc/terms/license", "val" : "https://creativecommons.org/licenses/by/4.0/" }, { "pred" : "http://www.w3.org/2002/07/owl#versionInfo", "val" : "2023-03-09" } ], "version" : "http://purl.obolibrary.org/obo/maxo/releases/2023-03-09/maxo.json" }, "nodes" : [ { "id" : "http://purl.obolibrary.org/obo/BFO_0000001", "lbl" : "entity", "type" : "CLASS", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "entity" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Entity" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "Julius Caesar" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "Verdi’s Requiem" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the Second World War" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "your body mass index" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000002", "lbl" : "continuant", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "continuant" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Continuant" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000003", "lbl" : "occurrent", "type" : "CLASS", "meta" : { "definition" : { "val" : "An entity that has temporal parts and that happens, unfolds or develops through time." }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "occurrent" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Occurrent" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000004", "lbl" : "independent continuant", "type" : "CLASS", "meta" : { "definition" : { "val" : "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])" }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "ic" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "IndependentContinuant" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a chair" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a heart" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a leg" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a molecule" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a spatial region" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an atom" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an orchestra." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an organism" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the bottom right portion of a human torso" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the interior of your mouth" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000006", "lbl" : "spatial region", "type" : "CLASS", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "s-region" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "SpatialRegion" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "BFO 2 Reference: Spatial regions do not participate in processes." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000015", "lbl" : "process", "type" : "CLASS", "meta" : { "definition" : { "val" : "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])" }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "process" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Process" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a process of cell-division, \\ a beating of the heart" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a process of meiosis" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a process of sleeping" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the course of a disease" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the flight of a bird" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the life of an organism" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "your process of aging." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000016", "lbl" : "disposition", "type" : "CLASS", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "disposition" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Disposition" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an atom of element X has the disposition to decay to an atom of element Y" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "certain people have a predisposition to colon cancer" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "children are innately disposed to categorize objects in certain ways." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the cell wall is disposed to filter chemicals in endocytosis and exocytosis" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000017", "lbl" : "realizable entity", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "realizable" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "RealizableEntity" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the disposition of this piece of metal to conduct electricity." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the disposition of your blood to coagulate" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the function of your reproductive organs" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of being a doctor" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of this boundary to delineate where Utah and Colorado meet" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000019", "lbl" : "quality", "type" : "CLASS", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "quality" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Quality" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the ambient temperature of this portion of air" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the color of a tomato" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the length of the circumference of your waist" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the mass of this piece of gold." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the shape of your nose" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the shape of your nostril" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000020", "lbl" : "specifically dependent continuant", "type" : "CLASS", "meta" : { "definition" : { "val" : "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])" }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "sdc" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "SpecificallyDependentContinuant" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "of one-sided specifically dependent continuants: the mass of this tomato" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the disposition of this fish to decay" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the function of this heart: to pump blood" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the mutual dependence of proton donors and acceptors in chemical reactions [79" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the pink color of a medium rare piece of grilled filet mignon at its center" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of being a doctor" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the shape of this hole." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the smell of this portion of mozzarella" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000023", "lbl" : "role", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "role" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Role" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the priest role" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of a boundary to demarcate two neighboring administrative territories" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of a building in serving as a military target" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of a stone in marking a property boundary" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the role of subject in a clinical trial" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the student role" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000031", "lbl" : "generically dependent continuant", "type" : "CLASS", "meta" : { "definition" : { "val" : "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])" }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "gdc" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "GenericallyDependentContinuant" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000034", "lbl" : "function", "type" : "CLASS", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "function" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "Function" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the function of a hammer to drive in nails" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the function of a heart pacemaker to regulate the beating of a heart through electricity" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the function of amylase in saliva to break down starch into sugar" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000040", "lbl" : "material entity", "type" : "CLASS", "meta" : { "definition" : { "val" : "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." }, "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "material" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "MaterialEntity" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a flame" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a forest fire" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a human being" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a hurricane" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a photon" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a puff of smoke" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a sea wave" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "a tornado" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an aggregate of human beings." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an energy wave" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "an epidemic" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "the undetached arm of a human being" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000600", "val" : "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])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000601", "val" : "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000602", "val" : "(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] " }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000050", "lbl" : "part_of", "type" : "PROPERTY", "meta" : { "definition" : { "val" : "a core relation that holds between a part and its whole" }, "subsets" : [ "http://purl.obolibrary.org/obo/valid_for_go_annotation_extension", "http://purl.obolibrary.org/obo/valid_for_go_gp2term", "http://purl.obolibrary.org/obo/valid_for_go_ontology", "http://purl.obolibrary.org/obo/valid_for_gocam" ], "xrefs" : [ { "val" : "BFO:0000050" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/IAO_0000111", "val" : "is part of" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "my brain is part of my body (continuant parthood, two material entities)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "this day is part of this year (occurrent parthood)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)\n\nA continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "part_of" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0001900", "val" : "http://purl.obolibrary.org/obo/RO_0001901" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000002" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000003" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000004" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000017" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000019" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000020" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0040042", "val" : "http://purl.obolibrary.org/obo/BFO_0000031" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "quality" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "part_of" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#seeAlso", "val" : "http://ontologydesignpatterns.org/wiki/Community:Parts_and_Collections" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#seeAlso", "val" : "http://ontologydesignpatterns.org/wiki/Submissions:PartOf" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#seeAlso", "val" : "http://www.obofoundry.org/ro/#OBO_REL:part_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000051", "lbl" : "has_part", "type" : "PROPERTY", "meta" : { "definition" : { "val" : "a core relation that holds between a whole and its part" }, "subsets" : [ "http://purl.obolibrary.org/obo/valid_for_go_annotation_extension", "http://purl.obolibrary.org/obo/valid_for_go_ontology", "http://purl.obolibrary.org/obo/valid_for_gocam" ], "xrefs" : [ { "val" : "BFO:0000051" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/IAO_0000111", "val" : "has part" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "my body has part my brain (continuant parthood, two material entities)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000112", "val" : "this year has part this day (occurrent parthood)" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "has_part" }, { "pred" : "http://purl.obolibrary.org/obo/RO_0001900", "val" : "http://purl.obolibrary.org/obo/RO_0001901" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "quality" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "has_part" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000062", "lbl" : "preceded by", "type" : "PROPERTY", "meta" : { "definition" : { "val" : "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." }, "subsets" : [ "http://purl.obolibrary.org/obo/ro/subsets#ro-eco" ], "xrefs" : [ { "val" : "BFO:0000062" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/IAO_0000111", "val" : "preceded by" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other." }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "is preceded by" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "preceded_by" }, { "pred" : "http://purl.org/dc/elements/1.1/source", "val" : "http://www.obofoundry.org/ro/#OBO_REL:preceded_by" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "preceded_by" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000063", "lbl" : "precedes", "type" : "PROPERTY", "meta" : { "definition" : { "val" : "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." }, "subsets" : [ "http://purl.obolibrary.org/obo/ro/subsets#ro-eco" ], "xrefs" : [ { "val" : "BFO:0000063" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/IAO_0000111", "val" : "precedes" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "precedes" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000066", "lbl" : "occurs in", "type" : "PROPERTY", "meta" : { "definition" : { "val" : "b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t" }, "comments" : [ "Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant" ], "subsets" : [ "http://purl.obolibrary.org/obo/valid_for_go_annotation_extension", "http://purl.obolibrary.org/obo/valid_for_go_ontology", "http://purl.obolibrary.org/obo/valid_for_gocam" ], "xrefs" : [ { "val" : "BFO:0000066" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/IAO_0000111", "val" : "occurs in" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "occurs_in" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "unfolds in" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000118", "val" : "unfolds_in" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "occurs_in" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000067", "lbl" : "contains process", "type" : "PROPERTY", "meta" : { "definition" : { "val" : "[copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t" }, "comments" : [ "Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant" ], "xrefs" : [ { "val" : "BFO:0000067" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/IAO_0000111", "val" : "site of" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "contains_process" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BFO_0000141", "lbl" : "immaterial entity", "type" : "CLASS", "meta" : { "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/BFO_0000179", "val" : "immaterial" }, { "pred" : "http://purl.obolibrary.org/obo/BFO_0000180", "val" : "ImmaterialEntity" }, { "pred" : "http://purl.obolibrary.org/obo/IAO_0000116", "val" : "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" }, { "pred" : "http://www.w3.org/2000/01/rdf-schema#isDefinedBy", "val" : "http://purl.obolibrary.org/obo/bfo.owl" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000096", "lbl" : "anterior to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000096" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "anterior_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000097", "lbl" : "distal to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000097" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "distal_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000098", "lbl" : "dorsal to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000098" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "dorsal_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000099", "lbl" : "posterior to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000099" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "posterior_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000100", "lbl" : "proximal to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000100" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "proximal_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000102", "lbl" : "ventral to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000102" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "ventral_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000107", "lbl" : "deep to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000107" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "deep_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000108", "lbl" : "superficial to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000108" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "superficial_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000120", "lbl" : "in left side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000120" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_left_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000121", "lbl" : "in right side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000121" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_right_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000122", "lbl" : "in posterior side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000122" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_posterior_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000123", "lbl" : "in anterior side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000123" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_anterior_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000124", "lbl" : "in proximal side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000124" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_proximal_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0000126", "lbl" : "in lateral side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0000126" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_lateral_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0001106", "lbl" : "proximalmost part of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0001106" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "proximalmost_part_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0001107", "lbl" : "immediately deep to", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0001107" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "immediately_deep_to" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0001108", "lbl" : "distalmost part of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0001108" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "distalmost_part_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0001113", "lbl" : "preaxialmost part of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0001113" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "preaxialmost_part_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0001115", "lbl" : "postaxialmost part of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0001115" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "postaxialmost_part_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0005001", "lbl" : "intersects midsagittal plane of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0005001" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "intersects_midsagittal_plane_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/BSPO_0015101", "lbl" : "in dorsal side of", "type" : "PROPERTY", "meta" : { "xrefs" : [ { "val" : "BSPO:0015101" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "uberon" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#shorthand", "val" : "in_dorsal_side_of" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_10545", "lbl" : "electron", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "electron", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "electron", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "electron", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Elektron", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta(-)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-particle", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "e", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "e(-)", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "e-", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "negatron", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "KEGG:C05359" }, { "val" : "PMID:21614077" }, { "val" : "Wikipedia:Electron" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "0.000548579903" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "0.0" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_11955", "lbl" : "4-amino-3-hydroxybutanoate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "4-Amino-3-hydroxybutanoate", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "CAS:352-21-6" }, { "val" : "KEGG:C03678" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H8NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YQGDEPYYFWUPGO-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "118.11126" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "118.05097" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCC(O)CC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_12777", "lbl" : "vitamin A", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "vitamin A vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin A vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin-A", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins A", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "MetaCyc:Vitamin-A" }, { "val" : "Wikipedia:Vitamin_A" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131530", "lbl" : "pyridoxal(1+)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A pyridinium ion obtained by protonation of the ring nitrogen of pyridoxal." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "4-formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridoxal cation", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H10NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "RADKZDMFGJYCBB-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "168.170" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "168.06552" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C1(O)=C(C)[NH+]=CC(CO)=C1C([H])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131604", "lbl" : "Mycoplasma genitalium metabolite", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Mycoplasma genitalium metabolites", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131619", "lbl" : "C27-steroid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A steroid compound with a structure based on a 27-carbon (cholestane) skeleton." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "C27-steroids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131620", "lbl" : "C24-steroid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A steroid compound with a structure based on a 24-carbon (cholane) skeleton." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "C24-steroids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131657", "lbl" : "cholane derivative", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any steroid (or derivative) based on a cholane skeleton." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "cholane derivatives", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131699", "lbl" : "EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor", "type" : "CLASS", "meta" : { "definition" : { "val" : "A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "DNA duplicase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA duplicase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA nucleotidyltransferase (DNA-directed) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA nucleotidyltransferase (DNA-directed) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA nucleotidyltransferase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA nucleotidyltransferase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase I inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase I inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase II inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase II inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase III inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase III inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase alpha inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase alpha inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase beta inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase beta inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase gamma inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase gamma inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA replicase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA replicase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA-dependent DNA polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA-dependent DNA polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 2.7.7.7 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 2.7.7.7 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Klenow fragment inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Klenow fragment inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Taq DNA polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Taq DNA polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Taq Pol I inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Taq Pol I inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tca DNA polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tca DNA polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxynucleate polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxynucleate polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleate nucleotidyltransferase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleate nucleotidyltransferase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic acid duplicase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic acid duplicase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic acid polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic acid polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic duplicase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic duplicase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic polymerase I inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic polymerase I inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic polymerase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "deoxyribonucleic polymerase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "duplicase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "duplicase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sequenase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sequenase inhibitors", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:DNA_polymerase" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131878", "lbl" : "cholanic acid anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any steroid acid anion based on a cholanic acid skeleton." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "cholanic acid anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cholanoic acid anion", "xrefs" : [ "SUBMITTER" ] }, { "pred" : "hasRelatedSynonym", "val" : "cholanoic acid anions", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:1527482" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_131927", "lbl" : "dicarboxylic acids and O-substituted derivatives", "type" : "CLASS", "meta" : { "definition" : { "val" : "A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "dicarboxylic acids and derivatives", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_132124", "lbl" : "1,4-benzoquinones", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a quinone", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "p-benzoquinones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "para-benzoquinones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6O2R4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "104.063" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "103.98983" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "O=C1C(*)=C(*)C(=O)C(*)=C1*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_132130", "lbl" : "hydroxyquinone", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "hydroxyquinones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_132142", "lbl" : "1,4-naphthoquinones", "type" : "CLASS", "meta" : { "definition" : { "val" : "A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_132153", "lbl" : "hyaluronate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of hyaluronic acid; major species at pH 7.3." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "hyaluronan", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "hyaluronate polyanion", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "(C14H20NO11)n.H2O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_132544", "lbl" : "fatty acid 22:6", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any polyunsaturated fatty acid containing 22 carbons and 6 double bonds." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "FA 22:6", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "FA(22:6)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "free fatty acid 22:6", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C22H32O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "328.496" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "328.24023" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C(=O)(O)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_132952", "lbl" : "oxalate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "ethanedioic acid anion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethanedioic acid anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxalate anion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxalate anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxalates", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxalic acid anion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxalic acid anions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_134179", "lbl" : "volatile organic compound", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "VOC", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "VOCs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "volatile organic compounds", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Volatile_organic_compound" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_134363", "lbl" : "tertiary amine oxide", "type" : "CLASS", "meta" : { "definition" : { "val" : "An N-oxide where there are three organic groups bonded to the nitrogen atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "tertiary amine oxides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Patent:EP0545208" }, { "val" : "Patent:EP0757983" }, { "val" : "Patent:EP0866058" }, { "val" : "Patent:EP1068179" }, { "val" : "Patent:US4206204" }, { "val" : "Patent:WO9950236" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "NOR3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "30.006" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "29.99799" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "*[N+](*)([O-])*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_135063", "lbl" : "glycerylphosphorylcholine", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#2_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "glycerol phosphorylcholine", "xrefs" : [ "DrugCentral" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycerophosphocholine", "xrefs" : [ "DrugCentral" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycerophosphoric acid choline ester", "xrefs" : [ "DrugCentral" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycerophosphorylcholine", "xrefs" : [ "DrugCentral" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycerylphosphocholine", "xrefs" : [ "DrugCentral" ] } ], "xrefs" : [ { "val" : "CAS:563-24-6" }, { "val" : "Drug_Central:3906" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H20NO6P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "SUHOQUVVVLNYQR-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "257.222" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "257.10282" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "P(OCC(CO)O)(OCC[N+](C)(C)C)(=O)[O-]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_136859", "lbl" : "pro-agent", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "pro-agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "proagent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "proagents", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:26449612" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_136889", "lbl" : "5beta steroid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any steroid that has beta-configuration at position 5." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "5beta steroids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "5beta-steroid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "5beta-steroids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_137431", "lbl" : "antihypotensive agent", "type" : "CLASS", "meta" : { "definition" : { "val" : "A cardiovascular drug that tends to raise reduced blood pressure." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "antihypotensive agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pressor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pressors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vasopressor agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vasopressor agents", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Antihypotensive_agent" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_137982", "lbl" : "tertiary ammonium ion", "type" : "CLASS", "meta" : { "definition" : { "val" : "An organic cation obtained by protonation of the amino group of any tertiary amino compound." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a tertiary amine", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary amine(1+)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary ammonium ions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "HNR3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "15.015" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "15.01090" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH+](*)(*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_137983", "lbl" : "methylated tertiary amine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A quaternary ammonium ion obtained by methylation of any tertiary amine" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a methylated tertiary amine", "xrefs" : [ "UniProt" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH3NR3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "29.041" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "29.02655" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[N+](C)(*)(*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_138015", "lbl" : "endocrine disruptor", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any compound that can disrupt the functions of the endocrine (hormone) system" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "endocrine disrupting chemical", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "endocrine disrupting chemicals", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "endocrine disrupting compound", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "endocrine disrupting compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "endocrine disruptors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "endocrine-disrupting chemical", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "endocrine-disrupting chemicals", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormonally active agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormonally active agents", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:27929035" }, { "val" : "PMID:28356401" }, { "val" : "PMID:28526231" }, { "val" : "Wikipedia:Endocrine_disruptor" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_138103", "lbl" : "inorganic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "inorganic acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mineral acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mineral acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Mineral_acid" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_138366", "lbl" : "bile acids", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_138675", "lbl" : "gas molecular entity", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "gas molecular entities", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "gaseous molecular entities", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "gaseous molecular entity", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:https://en.wikipedia.org/wiki/Gas" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_139120", "lbl" : "carotenoid beta-end derivative", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any carotenoid derivative with an beta-end group" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#2_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a carotenoid beta-end derivative", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "MetaCyc:Carotenoid-beta-end-group" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C19H27R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "255.418" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "255.21128" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/*)/C)/C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_13941", "lbl" : "carbamate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "carbamate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Carbamat", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Karbamat", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbamate ion", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbamic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:3903503" }, { "val" : "CAS:302-11-4" }, { "val" : "Gmelin:239604" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH2NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KXDHJXZQYSOELW-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "60.03212" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "60.00910" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_139588", "lbl" : "alpha-hydroxy ketone", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "alpha-hydroxy ketones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-hydroxy-ketone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-hydroxy-ketones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-hydroxyketone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-hydroxyketones", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:15326516" }, { "val" : "PMID:19908854" }, { "val" : "PMID:20382022" }, { "val" : "PMID:23295224" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_139592", "lbl" : "tertiary alpha-hydroxy ketone", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "tertiary alpha-hydroxy ketones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary alpha-hydroxy-ketone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary alpha-hydroxy-ketones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary alpha-hydroxyketone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary alpha-hydroxyketones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2HO2R3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "57.028" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "56.99765" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C(C(=O)*)(O)(*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_140601", "lbl" : "fatty acid 4:0", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any saturated fatty acid containing 4 carbons." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CHO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "45.017" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "44.99765" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "*C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_140785", "lbl" : "R-cob(III)alamin", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#2_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "an R-cob(III)alamin", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "MetaCyc:CPD-20938" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C62H88CoN13O14PR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "1329.350" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "1328.56433" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_142163", "lbl" : "24G7 epitope", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C7H6N2O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "134.136" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "134.04801" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C(=CC(NC(=*)*)=*)(NC(C(C)=*)=O)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_142839", "lbl" : "enolate", "type" : "CLASS", "meta" : { "definition" : { "val" : "An organic anion arising from deprotonation of the hydroxy group of an enol." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "enolate anion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "enolate anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "enolates", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2OR3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "40.021" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "39.99491" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]C(=C(*)*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_14321", "lbl" : "glutamate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "glutamate(1-)", "xrefs" : [ "JCBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen glutamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-ammoniopentanedioate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamic acid monoanion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:327908" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H8NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "146.12136" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "146.04588" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]C(CCC([O-])=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_144644", "lbl" : "a tetracycline zwitterion", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#2_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a tetracycline", "xrefs" : [ "UniProt" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C21H17N2O7R5" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "409.370" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "409.10358" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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)*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_145947", "lbl" : "antiatherosclerotic agent", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "antiatherosclerotic agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-atherosclerotic agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-atherosclerotic agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-atherosclerotic drug", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-atherosclerotic drugs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antiatherosclerotic agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antiatherosclerotic drug", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antiatherosclerotic drugs", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_147289", "lbl" : "EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any EC 3.4.17.* (metallocarboxypeptidase) inhibitor that inhibits the action of angiotensin-converting enzyme 2 (EC 3.4.17.23)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ACE-2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ACE-2 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ACE2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ACE2 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 3.4.17.23 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 3.4.17.23 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "angiotensin converting enzyme 2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "angiotensin converting enzyme 2 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "angiotensin converting enzyme-2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "angiotensin converting enzyme-2 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "angiotensin-converting enzyme 2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "angiotensin-converting enzyme 2 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hACE2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hACE2 inhibitors", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Angiotensin-converting_enzyme_2" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_147290", "lbl" : "EC 3.4.17* (metallocarboxypeptidase) inhibitor", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the action of a metallocarboxypeptidase (EC 3.4.17.*)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "EC 3.4.17* (metallocarboxypeptidase) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 3.4.17* (metallocarboxypeptidase) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 3.4.17.* inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 3.4.17.* inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metallocarboxypeptidase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metallocarboxypeptidase inhibitors", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_149552", "lbl" : "emetic", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any agent that induces nausea and vomiting." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "emetics", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15339", "lbl" : "acceptor", "type" : "CLASS", "meta" : { "definition" : { "val" : "A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Acceptor", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "A", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Akzeptor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hydrogen-acceptor", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Oxidized donor", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "accepteur", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00028" }, { "val" : "KEGG:C16722" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13699" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2377" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15354", "lbl" : "choline", "type" : "CLASS", "meta" : { "definition" : { "val" : "A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-hydroxy-N,N,N-trimethylethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Choline", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "choline", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bilineurine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "CHOLINE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "N,N,N-trimethylethanol-ammonium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-trimethylethanolamine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "trimethylethanolamine", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1736748" }, { "val" : "CAS:62-49-7" }, { "val" : "CAS:62-49-7" }, { "val" : "DrugBank:DB00122" }, { "val" : "Drug_Central:3097" }, { "val" : "ECMDB:ECMDB00097" }, { "val" : "Gmelin:324597" }, { "val" : "HMDB:HMDB0000097" }, { "val" : "KEGG:C00114" }, { "val" : "KEGG:D07690" }, { "val" : "KNApSAcK:C00007298" }, { "val" : "MetaCyc:CHOLINE" }, { "val" : "PDBeChem:CHT" }, { "val" : "PMID:10930630" }, { "val" : "PMID:12826235" }, { "val" : "PMID:12946691" }, { "val" : "PMID:14972364" }, { "val" : "PMID:16210714" }, { "val" : "PMID:17087106" }, { "val" : "PMID:17283071" }, { "val" : "PMID:17344490" }, { "val" : "PMID:18204095" }, { "val" : "PMID:18230680" }, { "val" : "PMID:18786517" }, { "val" : "PMID:18786520" }, { "val" : "PMID:19246089" }, { "val" : "PMID:20038853" }, { "val" : "PMID:20446114" }, { "val" : "PMID:22770225" }, { "val" : "PMID:22961562" }, { "val" : "PMID:23095202" }, { "val" : "PMID:23616508" }, { "val" : "PMID:23637565" }, { "val" : "PMID:23733158" }, { "val" : "PMID:6420466" }, { "val" : "PMID:7590654" }, { "val" : "PMID:9517478" }, { "val" : "Reaxys:1736748" }, { "val" : "Wikipedia:Choline" }, { "val" : "YMDB:YMDB00227" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H14NO" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OEYIOHPDSNJKLS-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "104.17080" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "104.10699" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C[N+](C)(C)CCO" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13985" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23212" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3665" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41524" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15356", "lbl" : "cysteine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Cysteine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "cysteine", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cysteine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Amino-3-mercaptopropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-mercaptopropanoic acid", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-sulfanylpropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "C", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cys", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cystein", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hcys", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Zystein", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cisteina", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1721406" }, { "val" : "CAS:3374-22-9" }, { "val" : "CAS:3374-22-9" }, { "val" : "CAS:3374-22-9" }, { "val" : "Gmelin:2933" }, { "val" : "KEGG:C00736" }, { "val" : "KNApSAcK:C00001351" }, { "val" : "KNApSAcK:C00007323" }, { "val" : "PMID:17439666" }, { "val" : "PMID:25181601" }, { "val" : "Reaxys:1721406" }, { "val" : "Wikipedia:Cysteine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "121.15922" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "121.01975" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14061" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23508" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4050" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15361", "lbl" : "pyruvate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-oxopropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "pyruvate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-oxopropanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-oxopropanoic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:3587721" }, { "val" : "CAS:57-60-3" }, { "val" : "Gmelin:2502" }, { "val" : "KEGG:C00022" }, { "val" : "PMID:17190852" }, { "val" : "PMID:21603897" }, { "val" : "PMID:21823181" }, { "val" : "PMID:21854850" }, { "val" : "PMID:22006570" }, { "val" : "PMID:22016370" }, { "val" : "PMID:22215378" }, { "val" : "PMID:22311625" }, { "val" : "PMID:22451307" }, { "val" : "PMID:22458763" }, { "val" : "Reaxys:3587721" }, { "val" : "UM-BBD_compID:c0159" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H3O3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "LCTONWCANYUPML-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "87.05412" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "87.00877" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14987" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26462" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15366", "lbl" : "acetic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A simple monocarboxylic acid containing two carbons." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "ACETIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Acetic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "acetic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "AcOH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3CO2H", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "E 260", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "E-260", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "E260", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Essigsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ethanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ethylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "HOAc", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "INS No. 260", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "MeCO2H", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "MeCOOH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide acetique", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethoic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:506007" }, { "val" : "CAS:64-19-7" }, { "val" : "CAS:64-19-7" }, { "val" : "CAS:64-19-7" }, { "val" : "Drug_Central:4211" }, { "val" : "Gmelin:1380" }, { "val" : "HMDB:HMDB0000042" }, { "val" : "KEGG:C00033" }, { "val" : "KEGG:D00010" }, { "val" : "KNApSAcK:C00001176" }, { "val" : "LIPID_MAPS_instance:LMFA01010002" }, { "val" : "MetaCyc:ACET" }, { "val" : "PDBeChem:ACT" }, { "val" : "PDBeChem:ACY" }, { "val" : "PMID:12005138" }, { "val" : "PMID:15107950" }, { "val" : "PMID:16630552" }, { "val" : "PMID:16774200" }, { "val" : "PMID:17190852" }, { "val" : "PMID:19416101" }, { "val" : "PMID:19469536" }, { "val" : "PMID:22153255" }, { "val" : "PMID:22173419" }, { "val" : "PPDB:1333" }, { "val" : "Reaxys:506007" }, { "val" : "Wikipedia:Acetic_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H4O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QTBSBXVTEAMEQO-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "60.05200" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "60.02113" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22169" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2387" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:40486" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15414", "lbl" : "S-adenosyl-L-methionine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "S-Adenosyl-L-methionine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "S-adenosyl-L-methionine", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acylcarnitine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "AdoMet", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "S-(5'-deoxyadenosin-5'-yl)-L-methionine", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "S-Adenosylmethionine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "S-adenosylmethionine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "SAM", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "SAMe", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:3576439" }, { "val" : "CAS:29908-03-0" }, { "val" : "CAS:29908-03-0" }, { "val" : "COMe:MOL000172" }, { "val" : "DrugBank:DB00118" }, { "val" : "HMDB:HMDB0001185" }, { "val" : "KEGG:C00019" }, { "val" : "KNApSAcK:C00007347" }, { "val" : "MetaCyc:S-ADENOSYLMETHIONINE" }, { "val" : "PMID:11017945" }, { "val" : "PMID:17439666" }, { "val" : "Reaxys:3919754" }, { "val" : "Wikipedia:S-Adenosyl_methionine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C15H23N6O5S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MEFKEPWMEQBLKI-AIRLBKTGSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "399.44500" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "399.14452" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10786" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10833" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12742" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12757" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12760" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22036" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45607" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:527887" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8946" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15428", "lbl" : "glycine", "type" : "CLASS", "meta" : { "definition" : { "val" : "The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "GLYCINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Glycine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "aminoacetic acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glycine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aminoacetic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aminoessigsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "G", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Gly", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glycin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glycocoll", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glykokoll", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glyzin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2N-CH2-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hgly", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Leimzucker", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "aminoethanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aminoethanoic acid", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:635782" }, { "val" : "CAS:56-40-6" }, { "val" : "CAS:56-40-6" }, { "val" : "CAS:56-40-6" }, { "val" : "DrugBank:DB00145" }, { "val" : "Drug_Central:1319" }, { "val" : "ECMDB:ECMDB00123" }, { "val" : "Gmelin:1808" }, { "val" : "HMDB:HMDB0000123" }, { "val" : "KEGG:C00037" }, { "val" : "KEGG:D00011" }, { "val" : "KNApSAcK:C00001361" }, { "val" : "MetaCyc:GLY" }, { "val" : "PDBeChem:GLY" }, { "val" : "PMID:10930630" }, { "val" : "PMID:11019925" }, { "val" : "PMID:11174716" }, { "val" : "PMID:11542461" }, { "val" : "PMID:11806864" }, { "val" : "PMID:12631515" }, { "val" : "PMID:12754315" }, { "val" : "PMID:12770151" }, { "val" : "PMID:12921899" }, { "val" : "PMID:15331688" }, { "val" : "PMID:15388434" }, { "val" : "PMID:15710237" }, { "val" : "PMID:16105183" }, { "val" : "PMID:16151895" }, { "val" : "PMID:16214212" }, { "val" : "PMID:16417482" }, { "val" : "PMID:16444815" }, { "val" : "PMID:16664855" }, { "val" : "PMID:16901953" }, { "val" : "PMID:16918424" }, { "val" : "PMID:16986325" }, { "val" : "PMID:16998855" }, { "val" : "PMID:17154252" }, { "val" : "PMID:17383967" }, { "val" : "PMID:17582620" }, { "val" : "PMID:17970719" }, { "val" : "PMID:18079355" }, { "val" : "PMID:18396796" }, { "val" : "PMID:18440992" }, { "val" : "PMID:18593588" }, { "val" : "PMID:18816054" }, { "val" : "PMID:18840508" }, { "val" : "PMID:19028609" }, { "val" : "PMID:19120667" }, { "val" : "PMID:19449910" }, { "val" : "PMID:19526731" }, { "val" : "PMID:19544666" }, { "val" : "PMID:19738917" }, { "val" : "PMID:19916621" }, { "val" : "PMID:19924257" }, { "val" : "PMID:21751272" }, { "val" : "PMID:22044190" }, { "val" : "PMID:22079563" }, { "val" : "PMID:22234938" }, { "val" : "PMID:22264337" }, { "val" : "PMID:22293292" }, { "val" : "PMID:22401276" }, { "val" : "PMID:22434786" }, { "val" : "Reaxys:635782" }, { "val" : "Wikipedia:Glycine" }, { "val" : "YMDB:YMDB00016" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H5NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "DHMQDGOQFOQNFH-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "75.06664" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "75.03203" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10792" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14344" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24368" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:42964" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5460" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15440", "lbl" : "squalene", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Squalene", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "squalene", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "(all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Spinacene", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Supraene", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "Beilstein:1728920" }, { "val" : "CAS:111-02-4" }, { "val" : "CAS:111-02-4" }, { "val" : "CAS:111-02-4" }, { "val" : "HMDB:HMDB0000256" }, { "val" : "KEGG:C00751" }, { "val" : "KNApSAcK:C00003755" }, { "val" : "LIPID_MAPS_instance:LMPR0106010002" }, { "val" : "MetaCyc:SQUALENE" }, { "val" : "PDBeChem:SQL" }, { "val" : "PMID:16341241" }, { "val" : "PMID:23625688" }, { "val" : "PMID:24362891" }, { "val" : "PMID:25286851" }, { "val" : "PMID:25286853" }, { "val" : "PMID:25987292" }, { "val" : "Wikipedia:Squalene" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C30H50" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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+" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YYGNTYWPHWGJRM-AAJYLUCBSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "410.730" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "410.39125" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C=C(/C)CC\\C=C(/C)CCC=C(C)C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10795" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10843" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15104" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26746" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9245" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_156255", "lbl" : "S-adenosyl-D-methionine", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#2_STAR" ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C15H23N6O5S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MEFKEPWMEQBLKI-XCPQSEKJSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "399.450" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "399.14452" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15693", "lbl" : "aldose", "type" : "CLASS", "meta" : { "definition" : { "val" : "Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Aldose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "aldoses", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "an aldose", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C01370" }, { "val" : "Wikipedia:Aldose" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H4O2(CH2O)n" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13755" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22305" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2561" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15705", "lbl" : "L-alpha-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any alpha-amino acid having L-configuration at the alpha-carbon." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "L-alpha-amino acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-alpha-amino acids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-2-Amino acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Amino acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-alpha-amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00151" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H4NO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "74.05870" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "74.02420" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H]([*])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13072" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13243" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13797" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21224" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6175" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15724", "lbl" : "trimethylamine N-oxide", "type" : "CLASS", "meta" : { "definition" : { "val" : "A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N,N-dimethylmethanamine oxide", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Trimethylamine N-oxide", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "trimethylamine N-oxide", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "(CH3)3NO", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Me3N(+)O(-)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Me3N(O)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N(CH3)3O", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "TMAO", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Trimethylaminoxid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "trimethylamine oxide", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "trimethyloxamine", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:1734787" }, { "val" : "CAS:1184-78-7" }, { "val" : "CAS:1184-78-7" }, { "val" : "CAS:1184-78-7" }, { "val" : "Gmelin:1839" }, { "val" : "HMDB:HMDB0000925" }, { "val" : "KEGG:C01104" }, { "val" : "MetaCyc:TRIMENTHLAMINE-N-O" }, { "val" : "PDBeChem:TMO" }, { "val" : "PMID:12683801" }, { "val" : "PMID:1453985" }, { "val" : "PMID:17697669" }, { "val" : "PMID:19425246" }, { "val" : "PMID:22770225" }, { "val" : "PMID:3170512" }, { "val" : "PMID:3674879" }, { "val" : "Reaxys:1734787" }, { "val" : "Wikipedia:Trimethylamine_oxide" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H9NO" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "UYPYRKYUKCHHIB-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "75.110" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "75.06841" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C[N+](C)([O-])C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15262" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15263" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27126" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9733" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15734", "lbl" : "primary alcohol", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Primary alcohol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-Alcohol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a primary alcohol", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "primary alcohols", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00226" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH3OR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "31.034" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "31.01839" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "*C(O)([H])[H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13676" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14887" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26262" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:57489" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8406" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15740", "lbl" : "formate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "formate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "formate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "HCO2 anion", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "aminate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "formiate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "formic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "formylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrogen carboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "methanoate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1901205" }, { "val" : "CAS:71-47-6" }, { "val" : "CAS:71-47-6" }, { "val" : "Gmelin:1006" }, { "val" : "HMDB:HMDB0000142" }, { "val" : "KEGG:C00058" }, { "val" : "MetaCyc:FORMATE" }, { "val" : "PMID:17190852" }, { "val" : "PMID:3946945" }, { "val" : "Reaxys:1901205" }, { "val" : "UM-BBD_compID:c0106" }, { "val" : "Wikipedia:Formate" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CHO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BDAGIHXWWSANSR-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "45.01744" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "44.99820" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14276" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24081" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15756", "lbl" : "hexadecanoic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A straight-chain, sixteen-carbon, saturated long-chain fatty acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hexadecanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-Pentadecanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-hexyldecanoic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "16:00", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "C16", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "C16 fatty acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "C16:0", "xrefs" : [ "LIPID_MAPS" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]14-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "FA 16:0", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hexadecanoate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hexadecylic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hexadecylic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hexaectylic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "PALMITIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Palmitate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Palmitic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Palmitinic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Palmitinsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pentadecanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "cetylic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "hexadecoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexadecanoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexadecoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "palmitic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:607489" }, { "val" : "CAS:57-10-3" }, { "val" : "CAS:57-10-3" }, { "val" : "CAS:57-10-3" }, { "val" : "DrugBank:DB03796" }, { "val" : "Gmelin:190200" }, { "val" : "HMDB:HMDB0000220" }, { "val" : "KEGG:C00249" }, { "val" : "KEGG:D05341" }, { "val" : "KNApSAcK:C00001233" }, { "val" : "KNApSAcK:C00030479" }, { "val" : "LIPID_MAPS_instance:LMFA01010001" }, { "val" : "MetaCyc:PALMITATE" }, { "val" : "PDBeChem:PLM" }, { "val" : "PMID:12492626" }, { "val" : "PMID:15357969" }, { "val" : "PMID:1589452" }, { "val" : "PMID:16509590" }, { "val" : "PMID:16884313" }, { "val" : "PMID:17439666" }, { "val" : "PMID:17502136" }, { "val" : "PMID:20001317" }, { "val" : "PMID:22735334" }, { "val" : "PMID:25584012" }, { "val" : "PMID:28600633" }, { "val" : "PPDB:1336" }, { "val" : "Reaxys:607489" }, { "val" : "Wikipedia:Palmitic_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C16H32O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "IPCSVZSSVZVIGE-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "256.42410" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "256.24023" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCCCCCCCCCCCCCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14730" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:233028" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24540" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24541" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24542" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24550" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:29889" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:35978" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44952" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15778", "lbl" : "N-acyl-D-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any N-acyl-amino acid in which the amino acid moiety has D configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H3NO3R2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "101.06080" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "101.01129" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC(=O)[C@@H]([*])NC([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12474" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21631" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7224" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15841", "lbl" : "polypeptide", "type" : "CLASS", "meta" : { "definition" : { "val" : "A peptide containing ten or more amino acid residues." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Polypeptide", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "polypeptides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Polypeptid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polipeptido", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00403" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H6N2O3R2(C2H2NOR)n" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14860" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8314" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15852", "lbl" : "aquacob(III)alamin", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Aquacob(III)alamin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-aquacobamide", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "aquacob(III)alamin", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aquacobalamin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2OCbl", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aquacobalamin", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-12a", "xrefs" : [ "CBN" ] } ], "xrefs" : [ { "val" : "CAS:13422-52-1" }, { "val" : "CAS:13422-52-1" }, { "val" : "HMDB:HMDB0003458" }, { "val" : "KEGG:C00992" }, { "val" : "MetaCyc:AQUACOBIIIALAMIN" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C62H90CoN13O15P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YOZNUFWCRFCGIH-WZHZPDAFSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "1347.36310" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "1346.57434" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13851" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22589" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2794" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15889", "lbl" : "sterol", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Sterol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sterols", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxysteroids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a sterol", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C00370" }, { "val" : "LIPID_MAPS_class:LMST01" }, { "val" : "MetaCyc:Sterols" }, { "val" : "Wikipedia:Sterol" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C19H31OR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "275.450" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "275.23749" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13688" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15114" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26771" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9266" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15904", "lbl" : "long-chain fatty acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A fatty acid with a chain length ranging from C13 to C22." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Long-chain fatty acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Higher fatty acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "LCFA", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "LCFAs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "long-chain fatty acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00638" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CHO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "45.017" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "44.99765" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13655" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14529" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25075" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6528" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15940", "lbl" : "nicotinic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "NICOTINIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Nicotinic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "nicotinic acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "pyridine-3-carboxylic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-Pyridylcarboxylic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-carboxylpyridine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-carboxypyridine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-pyridinecarboxylic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Niacin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Niacor", "xrefs" : [ "KEGG_DRUG" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Niaspan", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "Nicotinsaure", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Nikotinsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "P.P. factor", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "PP factor", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acide nicotinique", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acido nicotinico", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acidum nicotinicum", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-pellagra vitamin", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-pyridinecarboxylic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "m-pyridinecarboxylic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "nicotinic acid", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "pellagra preventive factor", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridine-beta-carboxylic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridine-carboxylique-3", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B3", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "AGR:IND607088605" }, { "val" : "Beilstein:109591" }, { "val" : "CAS:59-67-6" }, { "val" : "CAS:59-67-6" }, { "val" : "CAS:59-67-6" }, { "val" : "Chemspider:913" }, { "val" : "DrugBank:DB00627" }, { "val" : "Drug_Central:2835" }, { "val" : "FooDB:FDB001014" }, { "val" : "Gmelin:3340" }, { "val" : "HMDB:HMDB0001488" }, { "val" : "KEGG:C00253" }, { "val" : "KEGG:D00049" }, { "val" : "KNApSAcK:C00000208" }, { "val" : "LINCS:LSM-4676" }, { "val" : "MetaCyc:NIACINE" }, { "val" : "PDBeChem:NIO" }, { "val" : "PMID:10540864" }, { "val" : "PMID:113218" }, { "val" : "PMID:12563315" }, { "val" : "PMID:12789870" }, { "val" : "PMID:135660" }, { "val" : "PMID:14550884" }, { "val" : "PMID:15037193" }, { "val" : "PMID:15183629" }, { "val" : "PMID:15205990" }, { "val" : "PMID:15311728" }, { "val" : "PMID:15627518" }, { "val" : "PMID:15651982" }, { "val" : "PMID:16018787" }, { "val" : "PMID:16172771" }, { "val" : "PMID:16322787" }, { "val" : "PMID:16400392" }, { "val" : "PMID:16449845" }, { "val" : "PMID:16767301" }, { "val" : "PMID:16877271" }, { "val" : "PMID:16945375" }, { "val" : "PMID:18037924" }, { "val" : "PMID:182198" }, { "val" : "PMID:186078" }, { "val" : "PMID:18993152" }, { "val" : "PMID:18996527" }, { "val" : "PMID:19369827" }, { "val" : "PMID:19592242" }, { "val" : "PMID:19678716" }, { "val" : "PMID:19779335" }, { "val" : "PMID:20979384" }, { "val" : "PMID:21632263" }, { "val" : "PMID:22116693" }, { "val" : "PMID:22155410" }, { "val" : "PMID:22229411" }, { "val" : "PMID:22366213" }, { "val" : "PMID:22458880" }, { "val" : "PMID:22770225" }, { "val" : "PMID:24029555" }, { "val" : "PMID:24568240" }, { "val" : "PMID:24675661" }, { "val" : "PMID:24848081" }, { "val" : "PMID:24975217" }, { "val" : "PMID:25040591" }, { "val" : "PMID:25241762" }, { "val" : "PMID:25429652" }, { "val" : "PMID:32954525" }, { "val" : "PMID:33273654" }, { "val" : "PMID:33932650" }, { "val" : "PMID:34066686" }, { "val" : "PMID:34085526" }, { "val" : "PMID:34117670" }, { "val" : "PMID:4033386" }, { "val" : "PMID:4259917" }, { "val" : "PMID:582105" }, { "val" : "PMID:699281" }, { "val" : "PMID:7217784" }, { "val" : "PMID:7581845" }, { "val" : "PMID:8306147" }, { "val" : "PMID:8423912" }, { "val" : "PMID:8679452" }, { "val" : "PMID:9107536" }, { "val" : "Reaxys:109591" }, { "val" : "Wikipedia:Niacin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H5NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "PVNIIMVLHYAWGP-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "123.10944" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "123.03203" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC(=O)c1cccnc1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25538" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44319" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7559" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15956", "lbl" : "biotin", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "BIOTIN", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Coenzyme R", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-(+)-biotin", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Biotin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Vitamin H", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "biotin", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "biotina", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "biotine", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "biotinum", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B7", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:86838" }, { "val" : "CAS:58-85-5" }, { "val" : "CAS:58-85-5" }, { "val" : "CAS:58-85-5" }, { "val" : "COMe:MOL000144" }, { "val" : "Chemspider:149962" }, { "val" : "DrugBank:DB00121" }, { "val" : "Drug_Central:373" }, { "val" : "FooDB:FDB014510" }, { "val" : "Gmelin:1918703" }, { "val" : "HMDB:HMDB0000030" }, { "val" : "KEGG:C00120" }, { "val" : "KEGG:D00029" }, { "val" : "KNApSAcK:C00000756" }, { "val" : "LINCS:LSM-3994" }, { "val" : "MetaCyc:BIOTIN" }, { "val" : "PDBeChem:BTN" }, { "val" : "PMCID:PMC8089577" }, { "val" : "PMID:10064317" }, { "val" : "PMID:10215065" }, { "val" : "PMID:10577274" }, { "val" : "PMID:11435506" }, { "val" : "PMID:11481419" }, { "val" : "PMID:11800048" }, { "val" : "PMID:12055344" }, { "val" : "PMID:12070309" }, { "val" : "PMID:12603856" }, { "val" : "PMID:12803839" }, { "val" : "PMID:15012185" }, { "val" : "PMID:15202718" }, { "val" : "PMID:15272000" }, { "val" : "PMID:15690449" }, { "val" : "PMID:15863846" }, { "val" : "PMID:15899401" }, { "val" : "PMID:15992684" }, { "val" : "PMID:16011464" }, { "val" : "PMID:16195795" }, { "val" : "PMID:16419467" }, { "val" : "PMID:16676358" }, { "val" : "PMID:16677798" }, { "val" : "PMID:16704206" }, { "val" : "PMID:16769720" }, { "val" : "PMID:17297119" }, { "val" : "PMID:1814646" }, { "val" : "PMID:18202531" }, { "val" : "PMID:18452485" }, { "val" : "PMID:18509457" }, { "val" : "PMID:19212411" }, { "val" : "PMID:19319844" }, { "val" : "PMID:19727438" }, { "val" : "PMID:19928962" }, { "val" : "PMID:20967359" }, { "val" : "PMID:20974274" }, { "val" : "PMID:2100006" }, { "val" : "PMID:21248194" }, { "val" : "PMID:21356565" }, { "val" : "PMID:21373679" }, { "val" : "PMID:21596550" }, { "val" : "PMID:21871906" }, { "val" : "PMID:25515858" }, { "val" : "PMID:33346513" }, { "val" : "PMID:33461365" }, { "val" : "PMID:34077272" }, { "val" : "PMID:8333586" }, { "val" : "PMID:8750932" }, { "val" : "PMID:9022537" }, { "val" : "PMID:9038855" }, { "val" : "PMID:9094878" }, { "val" : "PMID:9164991" }, { "val" : "PMID:9176832" }, { "val" : "PMID:9371938" }, { "val" : "PMID:9416479" }, { "val" : "Reaxys:86838" }, { "val" : "Wikipedia:Biotin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C10H16N2O3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "244.31172" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "244.08816" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13905" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22882" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22884" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3108" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41236" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_15966", "lbl" : "D-glutamic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An optically active form of glutamic acid having D-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(2R)-2-aminopentanedioic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "D-Glutamic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-glutamic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-2-aminopentanedioic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-2-Aminoglutaric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Glutaminic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Glutaminsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DGL", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamic acid D-form", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:1723800" }, { "val" : "CAS:6893-26-1" }, { "val" : "CAS:6893-26-1" }, { "val" : "CAS:6893-26-1" }, { "val" : "DrugBank:DB02517" }, { "val" : "Gmelin:201189" }, { "val" : "HMDB:HMDB0003339" }, { "val" : "KEGG:C00217" }, { "val" : "KNApSAcK:C00019577" }, { "val" : "MetaCyc:D-GLT" }, { "val" : "PDBeChem:DGL" }, { "val" : "Reaxys:1723800" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H9NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-GSVOUGTGSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "147.12930" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "147.05316" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](CCC(O)=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21023" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4183" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16015", "lbl" : "L-glutamic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An optically active form of glutamic acid having L-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(2S)-2-aminopentanedioic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "L-Glutamic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-glutamic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-2-aminopentanedioic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-glutamic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "E", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "GLUTAMIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glu", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glutamate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Glu", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Glutaminic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Glutaminsaeure", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acide glutamique", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acido glutamico", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acidum glutamicum", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "glutamic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "BPDB:2297" }, { "val" : "Beilstein:1723801" }, { "val" : "CAS:56-86-0" }, { "val" : "CAS:56-86-0" }, { "val" : "CAS:56-86-0" }, { "val" : "DrugBank:DB00142" }, { "val" : "Drug_Central:1310" }, { "val" : "Gmelin:3502" }, { "val" : "HMDB:HMDB0000148" }, { "val" : "KEGG:C00025" }, { "val" : "KEGG:D00007" }, { "val" : "KNApSAcK:C00001358" }, { "val" : "LINCS:LSM-36375" }, { "val" : "MetaCyc:GLT" }, { "val" : "PDBeChem:GLU_LFOH" }, { "val" : "PMID:15739367" }, { "val" : "PMID:15930465" }, { "val" : "PMID:16719819" }, { "val" : "PMID:16892196" }, { "val" : "PMID:19581495" }, { "val" : "PMID:22219301" }, { "val" : "PMID:22735334" }, { "val" : "Reaxys:1723801" }, { "val" : "Wikipedia:L-Glutamic_Acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H9NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-VKHMYHEASA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "147.12930" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "147.05316" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](CCC(O)=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21304" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:42825" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6224" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16042", "lbl" : "halide anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monoatomic monoanion resulting from the addition of an electron to any halogen atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "halide ions", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HX", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Halide", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a halide anion", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "halide anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "halide(1-)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "halides", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "halogen anion", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00462" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "X" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "0.0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "0.0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*-]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14384" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5605" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16080", "lbl" : "gamma-amino-beta-hydroxybutyric acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "4-amino-3-hydroxybutanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "gamma-Amino-beta-hydroxybutyric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxy-GABA", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "4-Amino-3-hydroxybutanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "4-amino-3-hydroxybutyric acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "GABOB", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "Beilstein:1721708" }, { "val" : "Beilstein:1752568" }, { "val" : "CAS:352-21-6" }, { "val" : "CAS:352-21-6" }, { "val" : "Drug_Central:1263" }, { "val" : "KEGG:C03678" }, { "val" : "KEGG:D00174" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H9NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YQGDEPYYFWUPGO-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "119.11920" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "119.05824" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCC(O)CC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:1780" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20311" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16113", "lbl" : "cholesterol", "type" : "CLASS", "meta" : { "definition" : { "val" : "A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "CHOLESTEROL", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Cholesterol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cholest-5-en-3beta-ol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "cholesterol", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "(3beta,14beta,17alpha)-cholest-5-en-3-ol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cholest-5-en-3beta-ol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cholesterin", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:2060565" }, { "val" : "CAS:57-88-5" }, { "val" : "CAS:57-88-5" }, { "val" : "CAS:57-88-5" }, { "val" : "DrugBank:DB04540" }, { "val" : "Gmelin:550297" }, { "val" : "HMDB:HMDB0000067" }, { "val" : "KEGG:C00187" }, { "val" : "KEGG:D00040" }, { "val" : "KNApSAcK:C00003648" }, { "val" : "LIPID_MAPS_instance:LMST01010001" }, { "val" : "MetaCyc:CHOLESTEROL" }, { "val" : "PDBeChem:CLR" }, { "val" : "PMID:10901445" }, { "val" : "PMID:11412894" }, { "val" : "PMID:16341241" }, { "val" : "PMID:24287311" }, { "val" : "PMID:25308664" }, { "val" : "PMID:25451949" }, { "val" : "PMID:25522988" }, { "val" : "PMID:25658343" }, { "val" : "PMID:25977713" }, { "val" : "PMID:4696527" }, { "val" : "PMID:8838010" }, { "val" : "Reaxys:2060565" }, { "val" : "Wikipedia:Cholesterol" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C27H46O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "HVYWMOMLDIMFJA-DPAQBDIFSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "386.655" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "386.35487" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13982" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23204" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3659" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41564" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16134", "lbl" : "ammonia", "type" : "CLASS", "meta" : { "definition" : { "val" : "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "AMMONIA", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Ammonia", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "ammonia", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "azane", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ammoniak", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH3", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH3", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH3", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "R-717", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[NH3]", "xrefs" : [ "MolBase" ] }, { "pred" : "hasRelatedSynonym", "val" : "ammoniac", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "amoniaco", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "spirit of hartshorn", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:3587154" }, { "val" : "CAS:7664-41-7" }, { "val" : "CAS:7664-41-7" }, { "val" : "CAS:7664-41-7" }, { "val" : "Drug_Central:4625" }, { "val" : "Gmelin:79" }, { "val" : "HMDB:HMDB0000051" }, { "val" : "KEGG:C00014" }, { "val" : "KEGG:D02916" }, { "val" : "KNApSAcK:C00007267" }, { "val" : "MetaCyc:AMMONIA" }, { "val" : "MolBase:930" }, { "val" : "PDBeChem:NH3" }, { "val" : "PMID:110589" }, { "val" : "PMID:11139349" }, { "val" : "PMID:11540049" }, { "val" : "PMID:11746427" }, { "val" : "PMID:11783653" }, { "val" : "PMID:13753780" }, { "val" : "PMID:14663195" }, { "val" : "PMID:15092448" }, { "val" : "PMID:15094021" }, { "val" : "PMID:15554424" }, { "val" : "PMID:15969015" }, { "val" : "PMID:16008360" }, { "val" : "PMID:16050680" }, { "val" : "PMID:16348008" }, { "val" : "PMID:16349403" }, { "val" : "PMID:16614889" }, { "val" : "PMID:16664306" }, { "val" : "PMID:16842901" }, { "val" : "PMID:17025297" }, { "val" : "PMID:17439666" }, { "val" : "PMID:17569513" }, { "val" : "PMID:17737668" }, { "val" : "PMID:18670398" }, { "val" : "PMID:22002069" }, { "val" : "PMID:22081570" }, { "val" : "PMID:22088435" }, { "val" : "PMID:22100291" }, { "val" : "PMID:22130175" }, { "val" : "PMID:22150211" }, { "val" : "PMID:22240068" }, { "val" : "PMID:22290316" }, { "val" : "PMID:22342082" }, { "val" : "PMID:22385337" }, { "val" : "PMID:22443779" }, { "val" : "PMID:22560242" }, { "val" : "Reaxys:3587154" }, { "val" : "Wikipedia:Ammonia" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "H3N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H3N/h1H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QGZKDVFQNNGYKY-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "17.03056" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "17.02655" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]N([H])[H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13405" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13406" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13407" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13771" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22533" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44269" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44284" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44404" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7434" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16137", "lbl" : "chondroitin D-glucuronate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A mucopolysaccharide composed of repeating beta-D-glucopyranuronosyl-(1->3)-beta-D-N-acetylgalactosaminyl units." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Chondroitin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Chondroitin-D-glucuronate", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "KEGG:C00401" }, { "val" : "KEGG:G11334" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "(C14H21NO11)nH2O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13989" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13992" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23221" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3673" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16189", "lbl" : "sulfate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Sulfate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sulfate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "sulfate", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxidosulfate(2-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxosulfate(2-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxosulfate(VI)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "SO4(2-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "SULFATE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sulfate anion(2-)", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sulfate dianion", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sulfate(2-)", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sulfuric acid ion(2-)", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "[SO4](2-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphate ion", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:3648446" }, { "val" : "CAS:14808-79-8" }, { "val" : "CAS:14808-79-8" }, { "val" : "Gmelin:2120" }, { "val" : "HMDB:HMDB0001448" }, { "val" : "KEGG:C00059" }, { "val" : "KEGG:D05963" }, { "val" : "MetaCyc:SULFATE" }, { "val" : "PDBeChem:SO4" }, { "val" : "PMID:11200094" }, { "val" : "PMID:11452993" }, { "val" : "PMID:11581495" }, { "val" : "PMID:11798107" }, { "val" : "PMID:12166931" }, { "val" : "PMID:12668033" }, { "val" : "PMID:14597181" }, { "val" : "PMID:15093386" }, { "val" : "PMID:15984785" }, { "val" : "PMID:16186560" }, { "val" : "PMID:16345535" }, { "val" : "PMID:16347366" }, { "val" : "PMID:16348007" }, { "val" : "PMID:16483812" }, { "val" : "PMID:16534979" }, { "val" : "PMID:16656509" }, { "val" : "PMID:16742508" }, { "val" : "PMID:16742518" }, { "val" : "PMID:17120760" }, { "val" : "PMID:17420092" }, { "val" : "PMID:17439666" }, { "val" : "PMID:17709180" }, { "val" : "PMID:18398178" }, { "val" : "PMID:18815700" }, { "val" : "PMID:18846414" }, { "val" : "PMID:19047345" }, { "val" : "PMID:19244483" }, { "val" : "PMID:19544990" }, { "val" : "PMID:19628332" }, { "val" : "PMID:19812358" }, { "val" : "PMID:30398859" }, { "val" : "Reaxys:3648446" }, { "val" : "Wikipedia:Sulfate" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "O4S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QAOWNCQODCNURD-UHFFFAOYSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "96.06360" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "95.95283" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]S([O-])(=O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15135" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45687" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9335" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16199", "lbl" : "urea", "type" : "CLASS", "meta" : { "definition" : { "val" : "A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "UREA", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Urea", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "urea", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "urea", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "1728", "xrefs" : [ "PPDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Carbamide", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "E927b", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2NC(O)NH2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Harnstoff", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Karbamid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "carbamide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbonyldiamide", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "ur", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "uree", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:635724" }, { "val" : "CAS:57-13-6" }, { "val" : "CAS:57-13-6" }, { "val" : "CAS:57-13-6" }, { "val" : "DrugBank:DB03904" }, { "val" : "Drug_Central:4264" }, { "val" : "ECMDB:ECMDB04172" }, { "val" : "Gmelin:1378" }, { "val" : "HMDB:HMDB0000294" }, { "val" : "KEGG:C00086" }, { "val" : "KEGG:D00023" }, { "val" : "KNApSAcK:C00007314" }, { "val" : "MetaCyc:UREA" }, { "val" : "PDBeChem:URE" }, { "val" : "PMID:18037357" }, { "val" : "PMID:22770225" }, { "val" : "PPDB:1728" }, { "val" : "Reaxys:635724" }, { "val" : "UM-BBD_compID:c0165" }, { "val" : "Wikipedia:Urea" }, { "val" : "YMDB:YMDB00003" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH4N2O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XSQUKJJJFZCRTK-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "60.05534" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "60.03236" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(N)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15292" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27218" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:46379" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9888" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16247", "lbl" : "phospholipid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Phospholipid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a phospholipid derivative", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "phospholipids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00865" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14816" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26063" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8150" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16285", "lbl" : "phytanic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3,7,11,15-tetramethylhexadecanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Phytanic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3,7,11,15-Tetramethyl-hexadecansaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3,7,11,15-tetramethyl hexadecanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3,7,11,15-tetramethyl-hexadecanoic acid", "xrefs" : [ "LIPID_MAPS" ] } ], "xrefs" : [ { "val" : "Beilstein:1789963" }, { "val" : "CAS:14721-66-5" }, { "val" : "CAS:14721-66-5" }, { "val" : "KEGG:C01607" }, { "val" : "LIPID_MAPS_instance:LMFA01020251" }, { "val" : "PMID:12187408" }, { "val" : "PMID:17956237" }, { "val" : "PMID:9819701" }, { "val" : "Reaxys:1789963" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C20H40O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "RLCKHJSFHOZMDR-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "312.53040" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "312.30283" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26111" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8189" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16336", "lbl" : "hyaluronic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Hyaluronic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hyaluronsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[beta-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)]n", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide hyaluronique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "acido hialuronico", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hyaluronan", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:8538277" }, { "val" : "CAS:9004-61-9" }, { "val" : "CAS:9004-61-9" }, { "val" : "HMDB:HMDB0010366" }, { "val" : "KEGG:C00518" }, { "val" : "KEGG:D08043" }, { "val" : "KEGG:G10505" }, { "val" : "PMID:11122186" }, { "val" : "PMID:18056362" }, { "val" : "PMID:18290544" }, { "val" : "Reaxys:8187837" }, { "val" : "Wikipedia:Hyaluronan" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "(C14H21NO12)n" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14412" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24622" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24623" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5772" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16359", "lbl" : "cholic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "CHOLIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Cholic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cholsaeure", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:2822009" }, { "val" : "CAS:81-25-4" }, { "val" : "CAS:81-25-4" }, { "val" : "CAS:81-25-4" }, { "val" : "DrugBank:DB02659" }, { "val" : "Drug_Central:3096" }, { "val" : "HMDB:HMDB0000619" }, { "val" : "KEGG:C00695" }, { "val" : "LINCS:LSM-5541" }, { "val" : "LIPID_MAPS_instance:LMST04010001" }, { "val" : "MetaCyc:CHOLATE" }, { "val" : "PDBeChem:CHD" }, { "val" : "PMID:22770225" }, { "val" : "Reaxys:2822009" }, { "val" : "Wikipedia:Cholic_Acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C24H40O5" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BHQCQFFYRZLCQQ-OELDTZBJSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "408.57140" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "408.28757" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:1694" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20223" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23210" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41494" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16375", "lbl" : "D-cysteine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An optically active form of cysteine having D-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "D-CYSTEINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "D-Cysteine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-cysteine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-mercaptopropanoic acid", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-sulfanylpropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-2-amino-3-mercaptopropanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Amino-3-mercaptopropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Cystein", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Zystein", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DCY", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "Beilstein:1721407" }, { "val" : "CAS:921-01-7" }, { "val" : "CAS:921-01-7" }, { "val" : "DrugBank:DB03201" }, { "val" : "ECMDB:ECMDB03417" }, { "val" : "Gmelin:363236" }, { "val" : "HMDB:HMDB0003417" }, { "val" : "KEGG:C00793" }, { "val" : "KNApSAcK:C00007323" }, { "val" : "PDBeChem:DCY" }, { "val" : "PMID:13761469" }, { "val" : "PMID:23340406" }, { "val" : "PMID:24800864" }, { "val" : "Reaxys:1721407" }, { "val" : "YMDB:YMDB00913" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UWTATZPHSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "121.15922" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "121.01975" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12919" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20921" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4111" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41887" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16389", "lbl" : "ubiquinones", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Ubiquinones", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "CoQ", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Coenzym Q", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Coenzyme Q", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Koenzym Q", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Q", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ubichinon", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ubiquinone", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a ubiquinone", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "coenzyme Q", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "coenzymes Q", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mitochondrial ubiquinone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mitochondrial ubiquinones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mitoquinones", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:1339-63-5" }, { "val" : "CAS:1339-63-5" }, { "val" : "KEGG:C00399" }, { "val" : "PMID:15788391" }, { "val" : "PMID:7599208" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H10O4(C5H8)n" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15279" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27186" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9852" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16454", "lbl" : "pantothenate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "pantothenate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:21463532" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H16NO5" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "GHOKWGTUZJEAQD-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "218.22700" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "218.10340" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)(CO)C(O)C(=O)NCCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14739" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25846" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16523", "lbl" : "D-serine", "type" : "CLASS", "meta" : { "definition" : { "val" : "The R-enantiomer of serine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "D-SERINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "D-Serine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-serine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-hydroxypropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-2-Amino-3-hydroxy-propionic acid", "xrefs" : [ "ChEMBL" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-2-amino-3-hydroxypropanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Serin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DSN", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "Beilstein:1721403" }, { "val" : "CAS:312-84-5" }, { "val" : "CAS:312-84-5" }, { "val" : "CAS:312-84-5" }, { "val" : "DrugBank:DB03929" }, { "val" : "ECMDB:ECMDB03406" }, { "val" : "Gmelin:1041392" }, { "val" : "HMDB:HMDB0003406" }, { "val" : "KEGG:C00740" }, { "val" : "MetaCyc:D-SERINE" }, { "val" : "PDBeChem:DSN" }, { "val" : "PMID:11864625" }, { "val" : "PMID:12850593" }, { "val" : "PMID:19212759" }, { "val" : "PMID:19217074" }, { "val" : "PMID:21295046" }, { "val" : "PMID:21914633" }, { "val" : "PMID:21956571" }, { "val" : "PMID:22117694" }, { "val" : "PMID:22128843" }, { "val" : "PMID:22266400" }, { "val" : "PMID:22280157" }, { "val" : "PMID:22362148" }, { "val" : "PMID:22369458" }, { "val" : "PMID:22445805" }, { "val" : "PMID:22465696" }, { "val" : "PMID:22486999" }, { "val" : "Reaxys:1721403" }, { "val" : "YMDB:YMDB00284" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-UWTATZPHSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "105.09262" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "105.04259" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](CO)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13019" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:143888" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21090" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:42262" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4245" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16541", "lbl" : "protein polypeptide chain", "type" : "CLASS", "meta" : { "definition" : { "val" : "A naturally occurring polypeptide synthesized at the ribosome." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Protein", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a protein", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "polypeptide chain", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "protein polypeptide chains", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00017" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8526" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16643", "lbl" : "L-methionine", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of methionine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "L-Methionine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-methionine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-4-(methylsulfanyl)butanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-2-amino-4-(methylthio)butanoic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-2-amino-4-(methylthio)butyric acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-methionine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-(-)-methionine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Methionin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-alpha-amino-gamma-methylmercaptobutyric acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "M", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "METHIONINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Met", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methionine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methionine", "xrefs" : [ "KEGG_DRUG" ] } ], "xrefs" : [ { "val" : "CAS:63-68-3" }, { "val" : "CAS:63-68-3" }, { "val" : "CAS:63-68-3" }, { "val" : "DrugBank:DB00134" }, { "val" : "Drug_Central:3347" }, { "val" : "ECMDB:ECMDB00696" }, { "val" : "Gmelin:26935" }, { "val" : "HMDB:HMDB0000696" }, { "val" : "KEGG:C00073" }, { "val" : "KEGG:D00019" }, { "val" : "KNApSAcK:C00001379" }, { "val" : "MetaCyc:MET" }, { "val" : "PDBeChem:MET_LFOH" }, { "val" : "PMID:16575097" }, { "val" : "PMID:21683740" }, { "val" : "PMID:21946918" }, { "val" : "PMID:22200379" }, { "val" : "PMID:22370952" }, { "val" : "PMID:22448874" }, { "val" : "PMID:22517898" }, { "val" : "PMID:24126240" }, { "val" : "PMID:24939187" }, { "val" : "PMID:5764336" }, { "val" : "Reaxys:1722294" }, { "val" : "YMDB:YMDB00318" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H11NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-BYPYZUCNSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "149.21238" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "149.05105" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCC[C@H](N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13141" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21360" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:43990" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6271" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16646", "lbl" : "carbohydrate", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbohydrate", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbohydrates", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kohlenhydrat", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kohlenhydrate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a carbohydrate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbohidrato", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbohidratos", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "glucide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glucides", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glucido", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glucidos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrates de carbone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "saccharide", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "saccharides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "saccharidum", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Carbohydrate" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15131" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23008" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9318" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16670", "lbl" : "peptide", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Peptide", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "peptides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Peptid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "peptido", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "peptidos", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00012" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "(C2H2NOR)nC2H3NOR" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14753" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25906" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7990" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_166831", "lbl" : "copper chelator", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "copper chelator", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "copper chelate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "copper chelating agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "copper chelating agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "copper chelators", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:24934357" }, { "val" : "PMID:29710396" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_166856", "lbl" : "hydroxytrimethylaminium", "type" : "CLASS", "meta" : { "definition" : { "val" : "A methylated tertiary amine that is trimethylammonium in which the hydrogen attached to the nitrogen is replaced by a hydroxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydroxy(trimethyl)ammonium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(CH3)3NOH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydroxy(trimethyl)azanium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydroxytrimethylazanium", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H10NO" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H10NO/c1-4(2,3)5/h5H,1-3H3/q+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "LGHYUXIXXNHKSE-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "76.118" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "76.07569" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C[N+](C)(C)O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16704", "lbl" : "uridine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "URIDINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Uridine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "uridine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "uridine", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-beta-D-ribofuranosyluracil", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Urd", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Uridin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-Uridine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "u", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:754904" }, { "val" : "CAS:58-96-8" }, { "val" : "CAS:58-96-8" }, { "val" : "DrugBank:DB02745" }, { "val" : "ECMDB:ECMDB00296" }, { "val" : "Gmelin:397474" }, { "val" : "HMDB:HMDB0000296" }, { "val" : "KEGG:C00299" }, { "val" : "KNApSAcK:C00019674" }, { "val" : "MetaCyc:URIDINE" }, { "val" : "PDBeChem:URI" }, { "val" : "PMID:12084455" }, { "val" : "PMID:15621516" }, { "val" : "PMID:16839635" }, { "val" : "PMID:17190852" }, { "val" : "PMID:22392515" }, { "val" : "PMID:22770225" }, { "val" : "Reaxys:754904" }, { "val" : "Wikipedia:Uridine" }, { "val" : "YMDB:YMDB00127" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H12N2O6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "DRTQHJPVMGBUCF-XVFCMESISA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "244.20146" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "244.06954" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15296" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27227" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:46386" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:46391" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:46460" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9893" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16705", "lbl" : "6-aminopenicillanic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "6-Aminopenicillanic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "6-amino-2,2-dimethylpenam-3alpha-carboxylic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(+)-6-aminopenicillanic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "6-APA", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "6-Aminopenicillamine acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "6-Aminopenicillanate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "6-Apa", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "6-Aps", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "6beta-aminopenicillanic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aminopenicillanic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Penicin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Penin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phenacyl 6-aminopenicillinate", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:15080" }, { "val" : "Beilstein:959078" }, { "val" : "CAS:551-16-6" }, { "val" : "CAS:551-16-6" }, { "val" : "Gmelin:1876702" }, { "val" : "KEGG:C02954" }, { "val" : "PDBeChem:X1E" }, { "val" : "PMID:12569987" }, { "val" : "PMID:1384868" }, { "val" : "PMID:14687482" }, { "val" : "PMID:1701026" }, { "val" : "PMID:20970923" }, { "val" : "PMID:21614893" }, { "val" : "PMID:24293403" }, { "val" : "PMID:24389703" }, { "val" : "PMID:24631718" }, { "val" : "PMID:25057428" }, { "val" : "PMID:26852849" }, { "val" : "PMID:26986755" }, { "val" : "PMID:6166603" }, { "val" : "Patent:US2941995" }, { "val" : "Reaxys:15080" }, { "val" : "Wikipedia:6-APA" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H12N2O3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NGHVIOIJCVXTGV-ALEPSDHESA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "216.260" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "216.05686" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20705" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2172" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16709", "lbl" : "pyridoxine", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "pyridoxine", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-methyl-4,5-dimethylol-pyridin-3-ol", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxy-2-picoline-4,5-dimethanol", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxy-4,5-dimethylol-alpha-picoline", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "5-hydroxy-6-methyl-3,4-pyridinedimethanol", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pyridoxol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "piridossina", "xrefs" : [ "HMDB" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "pyridoxina", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "pyridoxine", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "pyridoxinum", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridoxolum", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B6", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "AGR:IND607198670" }, { "val" : "Beilstein:139854" }, { "val" : "CAS:65-23-6" }, { "val" : "CAS:65-23-6" }, { "val" : "CAS:65-23-6" }, { "val" : "Chemspider:1025" }, { "val" : "DrugBank:DB00165" }, { "val" : "Drug_Central:2836" }, { "val" : "FooDB:FDB000574" }, { "val" : "Gmelin:563676" }, { "val" : "HMDB:HMDB0000239" }, { "val" : "KEGG:C00314" }, { "val" : "KEGG:D08454" }, { "val" : "KNApSAcK:C00001551" }, { "val" : "LINCS:LSM-5324" }, { "val" : "MetaCyc:PYRIDOXINE" }, { "val" : "PDBeChem:UEG" }, { "val" : "PMID:10687314" }, { "val" : "PMID:10894227" }, { "val" : "PMID:11562405" }, { "val" : "PMID:12640345" }, { "val" : "PMID:12768081" }, { "val" : "PMID:13046427" }, { "val" : "PMID:15132238" }, { "val" : "PMID:15369738" }, { "val" : "PMID:15756083" }, { "val" : "PMID:16236150" }, { "val" : "PMID:16277693" }, { "val" : "PMID:16690736" }, { "val" : "PMID:17044573" }, { "val" : "PMID:22932811" }, { "val" : "PMID:24035968" }, { "val" : "PMID:24601602" }, { "val" : "PMID:2580028" }, { "val" : "PMID:27113583" }, { "val" : "PMID:2885064" }, { "val" : "PMID:31093449" }, { "val" : "PMID:32105687" }, { "val" : "PMID:33549283" }, { "val" : "PMID:33665688" }, { "val" : "PMID:3710434" }, { "val" : "PMID:559690" }, { "val" : "PMID:6624427" }, { "val" : "PMID:6801073" }, { "val" : "PMID:9625217" }, { "val" : "Reaxys:139854" }, { "val" : "Wikipedia:Pyridoxine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H11NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "LXNHXLLTXMVWPM-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "169.180" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "169.07389" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC1=C(O)C(CO)=C(CO)C=N1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14981" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26429" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8671" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16716", "lbl" : "benzene", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "BENZENE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Benzene", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "benzene", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "benzene", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "benzene", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Benzen", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Benzine", "xrefs" : [ "UM-BBD" ] }, { "pred" : "hasRelatedSynonym", "val" : "Benzol", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bicarburet of hydrogen", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Coal naphtha", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Mineral naphtha", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phene", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pyrobenzol", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pyrobenzole", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "[6]annulene", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "benzole", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "cyclohexatriene", "xrefs" : [ "UM-BBD" ] }, { "pred" : "hasRelatedSynonym", "val" : "phenyl hydride", "xrefs" : [ "UM-BBD" ] } ], "xrefs" : [ { "val" : "Beilstein:969212" }, { "val" : "CAS:71-43-2" }, { "val" : "CAS:71-43-2" }, { "val" : "CAS:71-43-2" }, { "val" : "Gmelin:1671" }, { "val" : "HMDB:HMDB0001505" }, { "val" : "KEGG:C01407" }, { "val" : "PDBeChem:BNZ" }, { "val" : "PMID:11684179" }, { "val" : "PMID:11993966" }, { "val" : "PMID:12857942" }, { "val" : "PMID:14677922" }, { "val" : "PMID:15468289" }, { "val" : "PMID:15935818" }, { "val" : "PMID:16161967" }, { "val" : "PMID:17373369" }, { "val" : "PMID:18072742" }, { "val" : "PMID:18407866" }, { "val" : "PMID:18409691" }, { "val" : "PMID:18836923" }, { "val" : "PMID:19228219" }, { "val" : "PMID:21325737" }, { "val" : "PMID:23088855" }, { "val" : "PMID:23222815" }, { "val" : "PMID:23534829" }, { "val" : "PMID:6353911" }, { "val" : "PMID:8124204" }, { "val" : "Reaxys:969212" }, { "val" : "UM-BBD_compID:c0142" }, { "val" : "Wikipedia:Benzene" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "UHOVQNZJYSORNB-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "78.11184" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "78.04695" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "c1ccccc1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13876" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22703" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3025" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41187" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_167164", "lbl" : "mineral nutrient", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "mineral nutrient", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mineral nutrients", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "nutrient mineral", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "nutrient minerals", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Mineral_(nutrient)" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16733", "lbl" : "D-alpha-amino acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "D-alpha-amino acid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-alpha-amino acids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Amino acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-alpha-amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00405" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H4NO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "74.05870" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "74.02420" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H]([*])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12909" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13625" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20906" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4097" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16755", "lbl" : "chenodeoxycholic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Chenodeoxycholic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3alpha,7alpha-Dihydroxy-5beta-cholanic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "7alpha-hydroxylithocholic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "CDCA", "xrefs" : [ "IUPHAR" ] }, { "pred" : "hasRelatedSynonym", "val" : "Chenix", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Chenodiol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "anthropodeoxycholic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "anthropodesoxycholic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "chenic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "gallodesoxycholic acid", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:3219887" }, { "val" : "CAS:474-25-9" }, { "val" : "CAS:474-25-9" }, { "val" : "DrugBank:DB06777" }, { "val" : "Drug_Central:4361" }, { "val" : "HMDB:HMDB0000518" }, { "val" : "KEGG:C02528" }, { "val" : "KEGG:D00163" }, { "val" : "LINCS:LSM-5353" }, { "val" : "LIPID_MAPS_instance:LMST04010032" }, { "val" : "PDBeChem:JN3" }, { "val" : "PMID:11530998" }, { "val" : "PMID:16037564" }, { "val" : "PMID:24448653" }, { "val" : "PMID:24464484" }, { "val" : "Reaxys:3219887" }, { "val" : "Wikipedia:Chenodiol" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C24H40O4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "RUDATBOHQWOJDD-BSWAIDMHSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "392.57200" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "392.29266" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23094" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3588" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3593" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_167559", "lbl" : "glycan", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "glycans", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16811", "lbl" : "methionine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Methionine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "methionine", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "methionine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Amino-4-(methylthio)butyric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-4-(methylsulfanyl)butanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-4-(methylthio)butanoic acid", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-Methionine", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hmet", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "M", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Met", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methionin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Racemethionine", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-amino-gamma-methylmercaptobutyric acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "metionina", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:636185" }, { "val" : "CAS:59-51-8" }, { "val" : "CAS:59-51-8" }, { "val" : "CAS:59-51-8" }, { "val" : "Gmelin:3117" }, { "val" : "KEGG:C01733" }, { "val" : "KEGG:D04983" }, { "val" : "PMID:16702333" }, { "val" : "PMID:22264337" }, { "val" : "PMID:2543976" }, { "val" : "Reaxys:636185" }, { "val" : "UM-BBD_compID:c0094" }, { "val" : "Wikipedia:Methionine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H11NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "149.21238" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "149.05105" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCCC(N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14590" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25229" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6829" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16867", "lbl" : "D-methionine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An optically active form of methionine having D-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "D-METHIONINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "D-Methionine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-methionine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-4-(methylsulfanyl)butanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-2-amino-4-(methylthio)butanoic acid", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-methionine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-2-Amino-4-(methylthio)butyric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-Methionin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "MED", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "Beilstein:1722293" }, { "val" : "CAS:348-67-4" }, { "val" : "CAS:348-67-4" }, { "val" : "CAS:348-67-4" }, { "val" : "DrugBank:DB02893" }, { "val" : "ECMDB:ECMDB21203" }, { "val" : "Gmelin:26934" }, { "val" : "KEGG:C00855" }, { "val" : "MetaCyc:CPD-218" }, { "val" : "PDBeChem:MED" }, { "val" : "PMID:15375647" }, { "val" : "PMID:20431016" }, { "val" : "PMID:20872028" }, { "val" : "PMID:21480759" }, { "val" : "PMID:21750343" }, { "val" : "PMID:21924333" }, { "val" : "PMID:22192214" }, { "val" : "PMID:22304623" }, { "val" : "PMID:318639" }, { "val" : "Reaxys:1722293" }, { "val" : "YMDB:YMDB00816" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H11NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-SCSAIBSYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "149.21238" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "149.05105" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCC[C@@H](N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13005" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21065" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4215" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44071" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16919", "lbl" : "creatine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A glycine derivative having methyl and amidino groups attached to the nitrogen." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Creatine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N-[amino(imino)methyl]-N-methylglycine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "((amino(imino)methyl)(methyl)amino)acetic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "(N-methylcarbamimidamido)acetic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(alpha-methylguanido)acetic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "(alpha-methylguanido)acetic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Creatin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kreatin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methylglycocyamine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-(aminoiminomethyl)-N-methylglycine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-Methyl-N-guanylglycine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-amidinosarcosine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-carbamimidoyl-N-methylglycine", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-methyl-N-guanylglycine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-Methylguanidino acetic acid", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "Beilstein:907175" }, { "val" : "CAS:57-00-1" }, { "val" : "CAS:57-00-1" }, { "val" : "CAS:57-00-1" }, { "val" : "Chemspider:566" }, { "val" : "DrugBank:DB00148" }, { "val" : "Drug_Central:4661" }, { "val" : "Gmelin:240513" }, { "val" : "HMDB:HMDB0000064" }, { "val" : "KEGG:C00300" }, { "val" : "MetaCyc:CREATINE" }, { "val" : "PDBeChem:CRN" }, { "val" : "PMID:11356982" }, { "val" : "PMID:11483809" }, { "val" : "PMID:11867929" }, { "val" : "PMID:12085493" }, { "val" : "PMID:12184144" }, { "val" : "PMID:12878267" }, { "val" : "PMID:16445883" }, { "val" : "PMID:17190852" }, { "val" : "PMID:17253521" }, { "val" : "PMID:17416441" }, { "val" : "PMID:18555535" }, { "val" : "PMID:19082141" }, { "val" : "PMID:19651674" }, { "val" : "PMID:19741514" }, { "val" : "PMID:19968328" }, { "val" : "PMID:21556832" }, { "val" : "PMID:21660517" }, { "val" : "PMID:21698493" }, { "val" : "PMID:22038587" }, { "val" : "PMID:22101931" }, { "val" : "PMID:22196490" }, { "val" : "PMID:22252611" }, { "val" : "PMID:22347384" }, { "val" : "PMID:22386973" }, { "val" : "PMID:22422801" }, { "val" : "PMID:22429992" }, { "val" : "PMID:22465051" }, { "val" : "PMID:22521466" }, { "val" : "PMID:7752905" }, { "val" : "Reaxys:907175" }, { "val" : "Wikipedia:Creatine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H9N3O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "CVSVTCORWBXHQV-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "131.13328" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "131.06948" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CN(CC(O)=O)C(N)=N" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14028" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23404" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3909" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41678" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16958", "lbl" : "beta-alanine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3-aminopropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "BETA-ALANINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "beta-Alanine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "beta-alanine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-Aminopropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-aminopropanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "H-beta-Ala-OH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "bAla", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-aminopropionic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "omega-aminopropionic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:906793" }, { "val" : "CAS:107-95-9" }, { "val" : "CAS:107-95-9" }, { "val" : "CAS:107-95-9" }, { "val" : "DrugBank:DB03107" }, { "val" : "Gmelin:49614" }, { "val" : "HMDB:HMDB0000056" }, { "val" : "KEGG:C00099" }, { "val" : "KEGG:D07561" }, { "val" : "KNApSAcK:C00001333" }, { "val" : "MetaCyc:B-ALANINE" }, { "val" : "PDBeChem:BAL" }, { "val" : "PMID:11139233" }, { "val" : "PMID:11850512" }, { "val" : "PMID:12107759" }, { "val" : "PMID:12887142" }, { "val" : "PMID:14363188" }, { "val" : "PMID:16934791" }, { "val" : "PMID:18528519" }, { "val" : "PMID:18613640" }, { "val" : "PMID:19239140" }, { "val" : "PMID:19955842" }, { "val" : "PMID:20199122" }, { "val" : "PMID:20386120" }, { "val" : "PMID:20479615" }, { "val" : "PMID:20994958" }, { "val" : "PMID:22735334" }, { "val" : "Reaxys:906793" }, { "val" : "Wikipedia:Beta-Alanine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "UCMIRNVEIXFBKS-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "89.09322" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "89.04768" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10343" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12389" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22821" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41050" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16990", "lbl" : "bilirubin IXalpha", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "bilirubin", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bilirubin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "bilirubin(Z,Z)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "bilirubin-IXalpha", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:74376" }, { "val" : "CAS:635-65-4" }, { "val" : "CAS:635-65-4" }, { "val" : "Gmelin:411033" }, { "val" : "HMDB:HMDB0000054" }, { "val" : "KEGG:C00486" }, { "val" : "KNApSAcK:C00029828" }, { "val" : "MetaCyc:BILIRUBIN" }, { "val" : "PDBeChem:BLR" }, { "val" : "PMID:12799017" }, { "val" : "PMID:18442622" }, { "val" : "PMID:23763371" }, { "val" : "PMID:23768684" }, { "val" : "PMID:30224965" }, { "val" : "PMID:8605219" }, { "val" : "PMID:9587403" }, { "val" : "Reaxys:74376" }, { "val" : "Wikipedia:Bilirubin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C33H36N4O6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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-" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BPYKTIZUTYGOLE-IFADSCNNSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "584.673" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "584.26348" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13898" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22870" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3099" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_16995", "lbl" : "oxalic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "OXALIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Oxalic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "oxalic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ethandisaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ethanedioic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2ox", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HOOCCOOH", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Oxalsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethane-1,2-dioic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:385686" }, { "val" : "CAS:144-62-7" }, { "val" : "CAS:144-62-7" }, { "val" : "CAS:144-62-7" }, { "val" : "DrugBank:DB03902" }, { "val" : "Gmelin:2208" }, { "val" : "HMDB:HMDB0002329" }, { "val" : "KEGG:C00209" }, { "val" : "KNApSAcK:C00001198" }, { "val" : "LIPID_MAPS_instance:LMFA01170031" }, { "val" : "MetaCyc:OXALATE" }, { "val" : "PDBeChem:OXD" }, { "val" : "PMID:15587083" }, { "val" : "PMID:22735334" }, { "val" : "Reaxys:385686" }, { "val" : "Wikipedia:Oxalic_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H2O4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MUBZPKHOEPUJKR-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "90.03490" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "89.99531" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC(=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25730" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44583" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7811" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17015", "lbl" : "riboflavin", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "6,7-dimethyl-9-D-ribitylisoalloxazine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "7,8-dimethyl-10-ribitylisoalloxazine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Aqua-Flave", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Beflavin", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Beflavine", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Bisulase", "xrefs" : [ "KEGG_DRUG" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Dermadram", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "E101", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Fiboflavin", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Flavaxin", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Flavin Bb", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Flaxain", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Hyflavin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Vitamin B2", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "lactoflavin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "riboflavin", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "riboflavin (vit B2)", "xrefs" : [ "DrugCentral" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "riboflavina", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "riboflavine", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "riboflavinum", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin G", "xrefs" : [ "DrugBank" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitasan B2", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:97831" }, { "val" : "CAS:83-88-5" }, { "val" : "CAS:83-88-5" }, { "val" : "CAS:83-88-5" }, { "val" : "Chemspider:431981" }, { "val" : "DrugBank:DB00140" }, { "val" : "Drug_Central:2834" }, { "val" : "FooDB:FDB012160" }, { "val" : "HMDB:HMDB0000244" }, { "val" : "KEGG:C00255" }, { "val" : "KEGG:D00050" }, { "val" : "KNApSAcK:C00001552" }, { "val" : "LINCS:LSM-4084" }, { "val" : "MetaCyc:RIBOFLAVIN" }, { "val" : "PDBeChem:RBF" }, { "val" : "PMID:10566553" }, { "val" : "PMID:11399071" }, { "val" : "PMID:11606856" }, { "val" : "PMID:12083520" }, { "val" : "PMID:12354259" }, { "val" : "PMID:12927541" }, { "val" : "PMID:14963913" }, { "val" : "PMID:16273338" }, { "val" : "PMID:16460756" }, { "val" : "PMID:16658098" }, { "val" : "PMID:182198" }, { "val" : "PMID:18832377" }, { "val" : "PMID:19169240" }, { "val" : "PMID:19212411" }, { "val" : "PMID:19854891" }, { "val" : "PMID:22770225" }, { "val" : "PMID:2369885" }, { "val" : "PMID:23818044" }, { "val" : "PMID:24643482" }, { "val" : "PMID:24816110" }, { "val" : "PMID:25108762" }, { "val" : "PMID:25468971" }, { "val" : "PMID:25887755" }, { "val" : "PMID:2631092" }, { "val" : "PMID:29937405" }, { "val" : "PMID:3142982" }, { "val" : "PMID:33154451" }, { "val" : "PMID:33304888" }, { "val" : "PMID:33886098" }, { "val" : "PMID:33892358" }, { "val" : "PMID:34156642" }, { "val" : "PMID:3592624" }, { "val" : "PMID:3878498" }, { "val" : "PMID:4019261" }, { "val" : "PMID:6475825" }, { "val" : "PMID:6546833" }, { "val" : "PMID:6650303" }, { "val" : "PMID:7101408" }, { "val" : "PMID:7883462" }, { "val" : "PMID:8487103" }, { "val" : "PMID:8604671" }, { "val" : "PMID:8678471" }, { "val" : "PMID:8976642" }, { "val" : "PMID:9184778" }, { "val" : "PMID:9808225" }, { "val" : "PMID:9874201" }, { "val" : "Patent:US2807611" }, { "val" : "Patent:US2876169" }, { "val" : "Reaxys:97831" }, { "val" : "Wikipedia:Riboflavin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C17H20N4O6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "AUNGANRZJHBGPY-SCRDCRAPSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "376.369" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "376.13828" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15044" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27299" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45214" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:529204" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8843" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17051", "lbl" : "fluoride", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Fluoride", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "fluoride", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "fluoride", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "fluoride(1-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "F(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "F-", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "FLUORIDE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fluoride ion", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fluorine anion", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "CAS:16984-48-8" }, { "val" : "CAS:16984-48-8" }, { "val" : "Gmelin:14905" }, { "val" : "KEGG:C00742" }, { "val" : "PDBeChem:F" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "F" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/FH/h1H/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KRHYYFGTRYWZRS-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "18.99840" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "18.99895" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[F-]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14271" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:49593" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5113" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17062", "lbl" : "primary aliphatic amine", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "RCH2NH2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "RCH2NH2", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "primary aliphatic amines", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00375" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH4NR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "30.04920" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "30.03437" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC[*]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13431" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8749" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17087", "lbl" : "ketone", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Ketone", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "ketones", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Keton", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "R-CO-R'", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a ketone", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "cetone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ketones", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C01450" }, { "val" : "Wikipedia:Ketone" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "COR2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "28.010" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "27.99491" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*]C([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13427" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13646" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24974" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6127" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8742" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17089", "lbl" : "glycoprotein", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound in which a carbohydrate component is covalently bound to a protein component." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Glycoprotein", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glycoproteins", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glykoprotein", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glykoproteine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a glycoprotein", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "glicoproteina", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glicoproteinas", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycoproteine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycoproteines", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00326" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14349" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5481" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5493" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17115", "lbl" : "L-serine", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of serine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "L-Serine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-serine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-hydroxypropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-(-)-serine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-2-amino-3-hydroxypropanoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-alpha-Amino-beta-hydroxypropionic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "(S)-serine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-(-)-serine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-2-Amino-3-hydroxypropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-3-Hydroxy-2-aminopropionic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-3-Hydroxy-alanine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Ser", "xrefs" : [ "DrugBank" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Serin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "S", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "SERINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ser", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Serine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-Hydroxy-L-alanine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-Hydroxyalanine", "xrefs" : [ "HMDB" ] } ], "xrefs" : [ { "val" : "Beilstein:1721404" }, { "val" : "CAS:56-45-1" }, { "val" : "CAS:56-45-1" }, { "val" : "CAS:56-45-1" }, { "val" : "DrugBank:DB00133" }, { "val" : "Drug_Central:4127" }, { "val" : "ECMDB:ECMDB00187" }, { "val" : "Gmelin:2570" }, { "val" : "HMDB:HMDB0000187" }, { "val" : "KEGG:C00065" }, { "val" : "KEGG:D00016" }, { "val" : "KNApSAcK:C00001393" }, { "val" : "MetaCyc:SER" }, { "val" : "PDBeChem:SER" }, { "val" : "PMID:1650428" }, { "val" : "PMID:17439666" }, { "val" : "PMID:19062365" }, { "val" : "PMID:21956576" }, { "val" : "PMID:22265470" }, { "val" : "PMID:22393170" }, { "val" : "PMID:22547037" }, { "val" : "PMID:22566084" }, { "val" : "PMID:22566694" }, { "val" : "Reaxys:1721404" }, { "val" : "Wikipedia:L-serine" }, { "val" : "YMDB:YMDB00112" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-REOHCLBHSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "105.09262" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "105.04259" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](CO)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13167" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21387" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45440" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45451" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45590" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45597" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45677" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6301" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17120", "lbl" : "hexanoate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hexanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "hexanoate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-hexanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-pentacarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-pentanecarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]4-COO(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "butylacetate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "caproate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "capronate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hexoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hexylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-caproate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "nPnCO2 anion", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentanecarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentylformate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:3601453" }, { "val" : "CAS:151-33-7" }, { "val" : "ECMDB:ECMDB21229" }, { "val" : "Gmelin:326340" }, { "val" : "KEGG:C01585" }, { "val" : "MetaCyc:HEXANOATE" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H11O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FUZZWVXGSFPDMH-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "115.15034" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "115.07645" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCCCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14398" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24569" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17126", "lbl" : "carnitine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3-hydroxy-4-(trimethylammonio)butanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "carnitine", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "D,L-carnitine", "xrefs" : [ "MetaCyc" ] } ], "xrefs" : [ { "val" : "Beilstein:1866665" }, { "val" : "CAS:461-06-3" }, { "val" : "DrugBank:DB02648" }, { "val" : "KEGG:C00487" }, { "val" : "MetaCyc:DL-CARNITINE" }, { "val" : "PMID:22770225" }, { "val" : "PMID:23868375" }, { "val" : "Patent:US4255449" }, { "val" : "Patent:US4315944" }, { "val" : "Reaxys:1866665" }, { "val" : "Wikipedia:Carnitine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C7H15NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "PHIQHXFUZVPYII-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "161.19894" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "161.10519" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C[N+](C)(C)CC(O)CC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:11817" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13947" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20047" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23038" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17137", "lbl" : "hydrogensulfite", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen(trioxidosulfate)(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogensulfite(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogentrioxosulfate(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogentrioxosulfate(IV)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydroxidodioxidosulfate(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "monohydrogentrioxosulfate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bisulfite", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "HSO3(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HSO3-", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hydrogen sulfite", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "[SO2(OH)](-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "bisulfite", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "bisulphite", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrogen sulfite(1-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrosulfite anion", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "CAS:15181-46-1" }, { "val" : "CAS:15181-46-1" }, { "val" : "Gmelin:1455" }, { "val" : "KEGG:C11481" }, { "val" : "PDBeChem:SO3" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "HO3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "LSNNMFCWUKXFEE-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "81.07214" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "80.96519" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OS([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13367" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5598" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_1722", "lbl" : "3beta-hydroxy-Delta(5)-steroid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "3beta-hydroxy Delta(5)-steroids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3beta-hydroxy-Delta(5)-steroids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a 3beta-hydroxy-Delta(5)-steroid", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C03836" }, { "val" : "MetaCyc:3b-hydroxy-D5-steroids" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C19H29OR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "273.434" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "273.22184" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C12C(C3C(C(CC3)*)(C)CC1)CC=C4C2(CC[C@@H](C4)O)C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13608" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:136845" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20245" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17234", "lbl" : "glucose", "type" : "CLASS", "meta" : { "definition" : { "val" : "An aldohexose used as a source of energy and metabolic intermediate." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Glucose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "gluco-hexose", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glucose", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-glucose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glc", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glukose", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:50-99-7" }, { "val" : "KEGG:C00293" }, { "val" : "Wikipedia:Glucose" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H12O6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "180.15588" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "180.06339" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14313" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24277" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:33929" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5418" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17272", "lbl" : "propionate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The conjugate base of propionic acid; a key precursor in lipid biosynthesis." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "propanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "propionate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-CH2-COO(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "EtCO2 anion", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "carboxylatoethane", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethanecarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethylformate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metacetonate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "methylacetate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "propanate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "propanoate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "propanoic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pseudoacetate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:3587503" }, { "val" : "CAS:72-03-7" }, { "val" : "CAS:72-03-7" }, { "val" : "Gmelin:1820" }, { "val" : "KEGG:C00163" }, { "val" : "PMID:17951291" }, { "val" : "PMID:18375549" }, { "val" : "PMID:2647392" }, { "val" : "UM-BBD_compID:c0277" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H5O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XBDQKXXYIPTUBI-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "73.07060" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "73.02950" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14903" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26290" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17287", "lbl" : "N-phosphocreatine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "N-Phosphocreatine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N-[imino(phosphonoamino)methyl]-N-methylglycine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "N-phosphocreatine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Creatine phosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Creatine phosphic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "N(omega)-phosphonocreatine", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-(N-phosphonoamido)sarcosine", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-(Phosphonoamidino)sarcosine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-Phosphorylcreatine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphocreatine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "phosphorylcreatine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "{[imino(phosphonoamino)methyl](methyl)amino}acetic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1797096" }, { "val" : "CAS:67-07-2" }, { "val" : "CAS:67-07-2" }, { "val" : "Drug_Central:3464" }, { "val" : "HMDB:HMDB0001511" }, { "val" : "KEGG:C02305" }, { "val" : "MetaCyc:CREATINE-P" }, { "val" : "PMID:1160340" }, { "val" : "PMID:11867929" }, { "val" : "PMID:13772879" }, { "val" : "PMID:13881337" }, { "val" : "PMID:14421251" }, { "val" : "PMID:5879486" }, { "val" : "Reaxys:1797096" }, { "val" : "Wikipedia:Phosphocreatine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H10N3O5P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "DRBBFCLWYRJSJZ-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "211.11318" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "211.03581" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CN(CC(O)=O)C(=N)NP(O)(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12526" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14813" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26053" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8145" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_173084", "lbl" : "ferroptosis inhibitor", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "ferroptosis inhibitors", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:32015325" }, { "val" : "PMID:32256352" }, { "val" : "PMID:32413317" }, { "val" : "PMID:33495651" }, { "val" : "Wikipedia:Ferroptosis" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_173085", "lbl" : "ferroptosis inducer", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "ferroptosis inducers", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:31899616" }, { "val" : "PMID:32015325" }, { "val" : "PMID:33167414" }, { "val" : "PMID:34012798" }, { "val" : "Wikipedia:Ferroptosis" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17310", "lbl" : "pyridoxal", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Pyridoxal", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "pyridoxal", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridoxaldehyde", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:383768" }, { "val" : "CAS:66-72-8" }, { "val" : "CAS:66-72-8" }, { "val" : "Chemspider:1021" }, { "val" : "DrugBank:DB00147" }, { "val" : "Drug_Central:4134" }, { "val" : "Gmelin:218674" }, { "val" : "HMDB:HMDB0001545" }, { "val" : "KEGG:C00250" }, { "val" : "KNApSAcK:C00007509" }, { "val" : "MetaCyc:PYRIDOXAL" }, { "val" : "PDBeChem:PXL" }, { "val" : "PMID:12001008" }, { "val" : "PMID:150790" }, { "val" : "PMID:1621875" }, { "val" : "PMID:16495081" }, { "val" : "PMID:16710308" }, { "val" : "PMID:17765195" }, { "val" : "PMID:20381632" }, { "val" : "PMID:22770225" }, { "val" : "PMID:23801094" }, { "val" : "PMID:24365359" }, { "val" : "PMID:31915818" }, { "val" : "PMID:3663392" }, { "val" : "PMID:4051187" }, { "val" : "PMID:433818" }, { "val" : "PMID:6853710" }, { "val" : "PMID:7159754" }, { "val" : "PMID:7440576" }, { "val" : "PMID:8116826" }, { "val" : "Reaxys:383768" }, { "val" : "Wikipedia:Pyridoxal" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H9NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "RADKZDMFGJYCBB-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "167.16200" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "167.05824" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]C(=O)c1c(CO)cnc(C)c1O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14976" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26423" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45112" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8667" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17334", "lbl" : "penicillin", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Penicillin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "penicillins", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "penicillins", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00395" }, { "val" : "PMID:11851248" }, { "val" : "PMID:12833570" }, { "val" : "PMID:1502708" }, { "val" : "PMID:16033609" }, { "val" : "PMID:7061385" }, { "val" : "PMID:7798534" }, { "val" : "Wikipedia:Penicillin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H11N2O4SR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "243.26000" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "243.04395" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14742" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25869" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7961" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17359", "lbl" : "sulfite", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sulfite", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "sulfite", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "trioxidosulfate(2-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "trioxosulfate(2-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "trioxosulfate(IV)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "SO3", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "SO3(2-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "SULFITE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "[SO3](2-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphite", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:14265-45-3" }, { "val" : "Gmelin:1449" }, { "val" : "PDBeChem:SO3" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "O3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "LSNNMFCWUKXFEE-UHFFFAOYSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "80.06420" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "79.95791" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]S([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15139" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45548" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17418", "lbl" : "valeric acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A straight-chain saturated fatty acid containing five carbon atoms." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Valeric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "pentanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-butanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-butanecarboxylic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]3-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "PENTANOIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pentanoate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pentanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Valerate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Valerianic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Valeriansaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-BuCOOH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-Pentanoate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-Valeric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-pentanoic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-valeric acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "propylacetic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "valeric acid, normal", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:969454" }, { "val" : "CAS:109-52-4" }, { "val" : "CAS:109-52-4" }, { "val" : "CAS:109-52-4" }, { "val" : "DrugBank:DB02406" }, { "val" : "Gmelin:26714" }, { "val" : "HMDB:HMDB0000892" }, { "val" : "KEGG:C00803" }, { "val" : "KNApSAcK:C00001208" }, { "val" : "LIPID_MAPS_instance:LMFA01010005" }, { "val" : "PDBeChem:LEA" }, { "val" : "PMID:20507156" }, { "val" : "PPDB:3130" }, { "val" : "Reaxys:969454" }, { "val" : "Wikipedia:Valeric_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H10O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "102.13170" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "102.06808" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:113448" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27263" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27264" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:43606" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44803" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7980" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17439", "lbl" : "cyanocob(III)alamin", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Cyanocob(III)alamin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cyanocob(III)alamin", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "cyanocob(III)alamin", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "CN-Cbl", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "CO-CYANOCOBALAMIN", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Dicopac", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Vitamin B12 complex", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "cyanocobalamin", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-12", "xrefs" : [ "CBN" ] } ], "xrefs" : [ { "val" : "CAS:68-19-9" }, { "val" : "CAS:68-19-9" }, { "val" : "DrugBank:DB00115" }, { "val" : "Gmelin:249901" }, { "val" : "Gmelin:457955" }, { "val" : "KEGG:C02823" }, { "val" : "KEGG:D00166" }, { "val" : "KNApSAcK:C00001534" }, { "val" : "PDBeChem:CNC" }, { "val" : "PMID:29286160" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C63H88CoN14O14P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "RMRCNWBMXRMIRW-WZHZPDAFSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "1355.36520" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "1354.56740" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14041" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23435" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3979" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:48820" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:60496" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17478", "lbl" : "aldehyde", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Aldehyde", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "aldehyde", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "aldehyde", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "aldehydes", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aldehyd", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "RC(=O)H", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "RCHO", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "aldehido", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aldehidos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aldehydes", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aldehydum", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "an aldehyde", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C00071" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CHOR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "29.01800" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "29.00274" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]C([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13432" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13753" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13805" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13806" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22291" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2554" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8750" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17522", "lbl" : "alditol", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Alditol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "alditol", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glycitol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sugar alcohol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "alditols", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00717" }, { "val" : "Wikipedia:Glycerin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "(CH2O)nC2H6O2" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13754" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22298" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2556" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17544", "lbl" : "hydrogencarbonate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The carbon oxoanion resulting from the removal of a proton from carbonic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Hydrogencarbonate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen(trioxidocarbonate)(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogencarbonate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "hydrogencarbonate", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogencarbonate(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogentrioxocarbonate(1-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogentrioxocarbonate(IV)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydroxidodioxidocarbonate(1-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acid carbonate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "BICARBONATE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bicarbonate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "HCO3(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HCO3-", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "[CO2(OH)](-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrogen carbonate", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "Beilstein:3903504" }, { "val" : "CAS:71-52-3" }, { "val" : "Gmelin:49249" }, { "val" : "HMDB:HMDB0000595" }, { "val" : "KEGG:C00288" }, { "val" : "MetaCyc:HCO3" }, { "val" : "PDBeChem:BCT" }, { "val" : "PMID:17215880" }, { "val" : "PMID:17505962" }, { "val" : "PMID:18439416" }, { "val" : "PMID:28732801" }, { "val" : "PMID:29150416" }, { "val" : "PMID:29460248" }, { "val" : "PMID:29466234" }, { "val" : "PMID:4208463" }, { "val" : "Wikipedia:Bicarbonate" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CHO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BVKZGUZCCUSVTD-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "61.01684" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "60.99312" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13363" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22863" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:40961" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5589" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17561", "lbl" : "L-cysteine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An optically active form of cysteine having L-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "L-Cysteine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-cysteine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-mercaptopropanoic acid", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-sulfanylpropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-2-amino-3-mercaptopropanoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "C", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CYSTEINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cys", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "E 920", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "E-920", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "E920", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "FREE CYSTEINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-2-Amino-3-mercaptopropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Cystein", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-Zystein", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1721408" }, { "val" : "CAS:52-90-4" }, { "val" : "CAS:52-90-4" }, { "val" : "CAS:52-90-4" }, { "val" : "DrugBank:DB00151" }, { "val" : "Drug_Central:769" }, { "val" : "ECMDB:ECMDB00574" }, { "val" : "Gmelin:49991" }, { "val" : "HMDB:HMDB0000574" }, { "val" : "KEGG:C00097" }, { "val" : "KEGG:D00026" }, { "val" : "KNApSAcK:C00001351" }, { "val" : "MetaCyc:CYS" }, { "val" : "PDBeChem:CYS" }, { "val" : "PMID:11732994" }, { "val" : "PMID:13761469" }, { "val" : "PMID:22735334" }, { "val" : "Reaxys:1721408" }, { "val" : "Wikipedia:Cysteine" }, { "val" : "YMDB:YMDB00046" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-REOHCLBHSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "121.15800" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "121.01975" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13095" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21261" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41227" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41700" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41768" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41781" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41811" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6207" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17568", "lbl" : "uracil", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "URACIL", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Uracil", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "pyrimidine-2,4(1H,3H)-dione", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "uracil", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,4(1H,3H)-pyrimidinedione", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,4-Dioxopyrimidine", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,4-Pyrimidinedione", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "U", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ura", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Urazil", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:606623" }, { "val" : "CAS:66-22-8" }, { "val" : "CAS:66-22-8" }, { "val" : "CAS:66-22-8" }, { "val" : "DrugBank:DB03419" }, { "val" : "Gmelin:2896" }, { "val" : "HMDB:HMDB0000300" }, { "val" : "KEGG:C00106" }, { "val" : "KEGG:D00027" }, { "val" : "KNApSAcK:C00001513" }, { "val" : "MetaCyc:URACIL" }, { "val" : "PDBeChem:URA" }, { "val" : "PMID:11279060" }, { "val" : "PMID:12855717" }, { "val" : "PMID:15274295" }, { "val" : "PMID:16834123" }, { "val" : "PMID:17439666" }, { "val" : "PMID:18533995" }, { "val" : "PMID:18815805" }, { "val" : "PMID:19175333" }, { "val" : "PMID:22020693" }, { "val" : "PMID:22074393" }, { "val" : "PMID:22120518" }, { "val" : "PMID:22171528" }, { "val" : "PMID:22237209" }, { "val" : "PMID:22299724" }, { "val" : "PMID:22356544" }, { "val" : "PMID:22447672" }, { "val" : "PMID:22483865" }, { "val" : "PMID:22567906" }, { "val" : "PMID:22685418" }, { "val" : "PMID:3654008" }, { "val" : "Reaxys:606623" }, { "val" : "Wikipedia:Uracil" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H4N2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ISAKRJDGNUQOIC-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "112.08684" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "112.02728" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "O=c1cc[nH]c(=O)[nH]1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15288" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27210" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:46375" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9882" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17578", "lbl" : "toluene", "type" : "CLASS", "meta" : { "definition" : { "val" : "The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "TOLUENE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Toluene", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "toluene", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "toluene", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "toluene", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Toluen", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Toluol", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "methylbenzene", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "phenylmethane", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:635760" }, { "val" : "CAS:108-88-3" }, { "val" : "CAS:108-88-3" }, { "val" : "CAS:108-88-3" }, { "val" : "DrugBank:DB01900" }, { "val" : "Gmelin:2456" }, { "val" : "KEGG:C01455" }, { "val" : "PDBeChem:MBN" }, { "val" : "PMID:11182169" }, { "val" : "PMID:11314682" }, { "val" : "PMID:11846266" }, { "val" : "PMID:11991009" }, { "val" : "PMID:12062755" }, { "val" : "PMID:12213539" }, { "val" : "PMID:12237258" }, { "val" : "PMID:12784113" }, { "val" : "PMID:12876426" }, { "val" : "PMID:14512097" }, { "val" : "PMID:14559343" }, { "val" : "PMID:14605898" }, { "val" : "PMID:15015825" }, { "val" : "PMID:15019953" }, { "val" : "PMID:15119846" }, { "val" : "PMID:15193425" }, { "val" : "PMID:15542760" }, { "val" : "PMID:15567510" }, { "val" : "PMID:15695158" }, { "val" : "PMID:15796064" }, { "val" : "PMID:16316648" }, { "val" : "PMID:16348226" }, { "val" : "PMID:16601996" }, { "val" : "PMID:17145141" }, { "val" : "PMID:17175136" }, { "val" : "PMID:17497535" }, { "val" : "PMID:17725881" }, { "val" : "PMID:18397809" }, { "val" : "PMID:18832024" }, { "val" : "PMID:19261054" }, { "val" : "PMID:19384711" }, { "val" : "PMID:19429395" }, { "val" : "PMID:19635754" }, { "val" : "PMID:19765629" }, { "val" : "PMID:19825861" }, { "val" : "PMID:19928203" }, { "val" : "PMID:19969016" }, { "val" : "PMID:20347282" }, { "val" : "PMID:20837561" }, { "val" : "PMID:21430649" }, { "val" : "PMID:21655021" }, { "val" : "PMID:21731073" }, { "val" : "PMID:21802510" }, { "val" : "PMID:21840036" }, { "val" : "Reaxys:635760" }, { "val" : "UM-BBD_compID:c0114" }, { "val" : "Wikipedia:Toluene" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C7H8" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YXFVVABEGXRONW-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "92.13842" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "92.06260" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "Cc1ccccc1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15248" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27022" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44023" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9624" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17579", "lbl" : "beta-carotene", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "BETA-CAROTENE", "xrefs" : [ "PDBeChem" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "beta,beta-carotene", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "beta-Carotene", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "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)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "all-trans-beta-carotene", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "all-trans-beta-carotene", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-Karotin", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1917416" }, { "val" : "CAS:7235-40-7" }, { "val" : "CAS:7235-40-7" }, { "val" : "CAS:7235-40-7" }, { "val" : "COMe:MOL000093" }, { "val" : "Drug_Central:345" }, { "val" : "HMDB:HMDB0000561" }, { "val" : "KEGG:C02094" }, { "val" : "KEGG:D03101" }, { "val" : "KNApSAcK:C00000919" }, { "val" : "LIPID_MAPS_instance:LMPR01070000" }, { "val" : "LIPID_MAPS_instance:LMPR01070001" }, { "val" : "MetaCyc:CPD1F-129" }, { "val" : "PDBeChem:BCR" }, { "val" : "PMID:11171227" }, { "val" : "PMID:11182771" }, { "val" : "PMID:11332447" }, { "val" : "PMID:11359610" }, { "val" : "PMID:11382814" }, { "val" : "PMID:11567548" }, { "val" : "PMID:11677037" }, { "val" : "PMID:11714348" }, { "val" : "PMID:11962062" }, { "val" : "PMID:12081834" }, { "val" : "PMID:12891827" }, { "val" : "PMID:14658721" }, { "val" : "PMID:14764912" }, { "val" : "PMID:14976384" }, { "val" : "PMID:14997360" }, { "val" : "PMID:15113067" }, { "val" : "PMID:15333155" }, { "val" : "PMID:15695449" }, { "val" : "PMID:15789045" }, { "val" : "PMID:15909543" }, { "val" : "PMID:15949680" }, { "val" : "PMID:15949683" }, { "val" : "PMID:16036331" }, { "val" : "PMID:16087476" }, { "val" : "PMID:16338959" }, { "val" : "PMID:16563447" }, { "val" : "PMID:17004738" }, { "val" : "PMID:17625873" }, { "val" : "PMID:17708644" }, { "val" : "PMID:17851775" }, { "val" : "PMID:18429004" }, { "val" : "PMID:18766464" }, { "val" : "PMID:18767554" }, { "val" : "PMID:18794175" }, { "val" : "PMID:19480350" }, { "val" : "PMID:19574250" }, { "val" : "PMID:19669835" }, { "val" : "PMID:19703237" }, { "val" : "PMID:19852884" }, { "val" : "PMID:19888275" }, { "val" : "PMID:19896667" }, { "val" : "PMID:19937581" }, { "val" : "PMID:20074992" }, { "val" : "PMID:20515074" }, { "val" : "PMID:22079732" }, { "val" : "PMID:22309480" }, { "val" : "PMID:22428124" }, { "val" : "PMID:22489215" }, { "val" : "PMID:22534340" }, { "val" : "PMID:22575730" }, { "val" : "Reaxys:1917416" }, { "val" : "Wikipedia:Beta_Carotene" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C40H56" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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+" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OENHQHLEOONYIE-JLTXGRSLSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "536.87264" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "536.43820" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10355" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12392" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22834" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:40987" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176497", "lbl" : "geroprotector", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any compound that supports healthy aging, slows the biological aging process, or extends lifespan." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "anti-aging agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-aging agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-aging drug", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-aging drugs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "geroprotective agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "geroprotective agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "geroprotectors", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:23372317" }, { "val" : "PMID:28580190" }, { "val" : "PMID:30885572" }, { "val" : "PMID:33144142" }, { "val" : "PMID:33973253" }, { "val" : "PMID:34606237" }, { "val" : "Wikipedia:Geroprotector" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176783", "lbl" : "vitamin C", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Vitamin C", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin C vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin C vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamina C", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamine C", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitaminum C", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMCID:PMC8088531" }, { "val" : "PMID:21885436" }, { "val" : "PMID:33916257" }, { "val" : "PMID:34064549" }, { "val" : "Wikipedia:Vitamin_C" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21241" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176838", "lbl" : "vitamin B2", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B2 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B2 vitamers", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176839", "lbl" : "vitamin B3", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B3", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-3", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B3 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B3 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B3", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176840", "lbl" : "vitamin B5", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B5", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-5", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B5 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B5 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B5", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176841", "lbl" : "vitamin B7", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B7", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-7", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B7 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B7 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B7", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176842", "lbl" : "vitamin B9", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B9", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "folate vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "folate vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-9", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B9 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B9 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B9", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176843", "lbl" : "vitamin B12", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B12", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-12", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B12 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B12 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B12", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_176894", "lbl" : "vitamin B6 phosphate anion", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "vitamin B-6 phosphate anion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-6 phosphate anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B6 phosphate anions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17716", "lbl" : "lactose", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "beta-D-galactopyranosyl-(1->4)-D-glucopyranose", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "lactose", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "(+)-lactose", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "(Gal)1 (Glc)1", "xrefs" : [ "KEGG_GLYCAN" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-beta-D-Galactopyranosyl-4-D-glucopyranose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "4-(beta-D-galactosido)-D-glucose", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "4-O-beta-D-galactopyranosyl-D-glucose", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-lactose", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Galbeta1-4Glc", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Lac", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Laktobiose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Laktose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Milchzucker", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Milk sugar", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1", "xrefs" : [ "GlyTouCan" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-D-Gal-(1->4)-D-Glc", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-D-Galp-(1->4)-D-Glcp", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-Gal1,4-Glc", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "lactobiose", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "milk sugar", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:1292745" }, { "val" : "CAS:63-42-3" }, { "val" : "CAS:63-42-3" }, { "val" : "CAS:63-42-3" }, { "val" : "GlyGen:G74621DY" }, { "val" : "GlyTouCan:G74621DY" }, { "val" : "Gmelin:882872" }, { "val" : "KEGG:C00243" }, { "val" : "KEGG:D00046" }, { "val" : "KEGG:G10504" }, { "val" : "KNApSAcK:C00001136" }, { "val" : "PMID:1292745" }, { "val" : "PMID:17329833" }, { "val" : "PMID:18300214" }, { "val" : "PMID:19053747" }, { "val" : "PMID:19846069" }, { "val" : "PMID:19913595" }, { "val" : "PMID:20094999" }, { "val" : "PMID:20503067" }, { "val" : "PMID:20699559" }, { "val" : "PMID:20873837" }, { "val" : "PMID:20961532" }, { "val" : "PMID:21403918" }, { "val" : "PMID:2432147" }, { "val" : "PMID:2456994" }, { "val" : "PMID:28690131" }, { "val" : "PMID:28807538" }, { "val" : "PMID:6194884" }, { "val" : "PMID:7574700" }, { "val" : "Reaxys:1292745" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C12H22O11" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "GUBGYTABKSRVRQ-QKKXKWKRSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "342.297" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "342.11621" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10296" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10380" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14497" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22460" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22760" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25005" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27755" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:613009" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17754", "lbl" : "glycerol", "type" : "CLASS", "meta" : { "definition" : { "val" : "A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "GLYCEROL", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Glycerol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "glycerol", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasExactSynonym", "val" : "glycerol", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "propane-1,2,3-triol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1,2,3-Propanetriol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "1,2,3-Trihydroxypropane", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glycerin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glyceritol", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glyzerin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Gro", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Oelsuess", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Propanetriol", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "Trihydroxypropane", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycerine", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "glycerol", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "glycerolum", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycyl alcohol", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:635685" }, { "val" : "CAS:56-81-5" }, { "val" : "CAS:56-81-5" }, { "val" : "CAS:56-81-5" }, { "val" : "Chemspider:733" }, { "val" : "DrugBank:DB04077" }, { "val" : "Drug_Central:1316" }, { "val" : "ECMDB:ECMDB00131" }, { "val" : "FooDB:FDB000756" }, { "val" : "Gmelin:26279" }, { "val" : "HMDB:HMDB0000131" }, { "val" : "KEGG:C00116" }, { "val" : "KEGG:D00028" }, { "val" : "KNApSAcK:C00001163" }, { "val" : "LINCS:LSM-37180" }, { "val" : "MetaCyc:GLYCEROL" }, { "val" : "PDB:2AJS" }, { "val" : "PDB:2D03" }, { "val" : "PDBeChem:GOL" }, { "val" : "PMID:11302662" }, { "val" : "PMID:11958517" }, { "val" : "PMID:11994365" }, { "val" : "PMID:12672239" }, { "val" : "PMID:12687625" }, { "val" : "PMID:12689633" }, { "val" : "PMID:12713573" }, { "val" : "PMID:14559393" }, { "val" : "PMID:14563847" }, { "val" : "PMID:15026783" }, { "val" : "PMID:15342117" }, { "val" : "PMID:15786693" }, { "val" : "PMID:15983192" }, { "val" : "PMID:16244855" }, { "val" : "PMID:16258193" }, { "val" : "PMID:16319039" }, { "val" : "PMID:16349488" }, { "val" : "PMID:16475911" }, { "val" : "PMID:16651733" }, { "val" : "PMID:16664750" }, { "val" : "PMID:16901854" }, { "val" : "PMID:17336832" }, { "val" : "PMID:17439666" }, { "val" : "PMID:17979222" }, { "val" : "PMID:19184438" }, { "val" : "PMID:19231894" }, { "val" : "PMID:19460032" }, { "val" : "PMID:19548674" }, { "val" : "PMID:19795216" }, { "val" : "PMID:19956799" }, { "val" : "PMID:22705534" }, { "val" : "PMID:23562176" }, { "val" : "PMID:23747440" }, { "val" : "PMID:24643482" }, { "val" : "PMID:24835191" }, { "val" : "PMID:25108762" }, { "val" : "PMID:558160" }, { "val" : "PMID:6299616" }, { "val" : "PMID:7031247" }, { "val" : "PMID:7392035" }, { "val" : "PPDB:1317" }, { "val" : "Reaxys:635685" }, { "val" : "UM-BBD_compID:c0066" }, { "val" : "Wikipedia:Glycerol" }, { "val" : "YMDB:YMDB00283" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8O3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "PEDCQBHIVMGVHV-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "92.09382" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "92.04734" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OCC(O)CO" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:131422" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14334" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24351" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:42998" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5448" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17781", "lbl" : "lumichrome", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "LUMICHROME", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Lumichrome", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "lumichrome", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "7,8-Dimethylalloxazine", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "Beilstein:226631" }, { "val" : "CAS:1086-80-2" }, { "val" : "CAS:1086-80-2" }, { "val" : "CAS:1086-80-2" }, { "val" : "DrugBank:DB04345" }, { "val" : "KEGG:C01727" }, { "val" : "KNApSAcK:C00030694" }, { "val" : "MetaCyc:CPD-605" }, { "val" : "PDBeChem:LUM" }, { "val" : "PMID:15819908" }, { "val" : "PMID:21126007" }, { "val" : "PMID:22953948" }, { "val" : "PMID:24001807" }, { "val" : "PMID:24451190" }, { "val" : "PMID:24643482" }, { "val" : "Reaxys:226631" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C12H10N4O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ZJTJUVIJVLLGSP-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "242.23356" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "242.08038" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14534" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25080" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:43772" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6561" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17790", "lbl" : "methanol", "type" : "CLASS", "meta" : { "definition" : { "val" : "The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "METHANOL", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Methanol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "methanol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "methanol", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3OH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "MeOH", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methyl alcohol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methylalkohol", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbinol", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "spirit of wood", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "wood alcohol", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "wood naphtha", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "wood spirit", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:1098229" }, { "val" : "CAS:67-56-1" }, { "val" : "CAS:67-56-1" }, { "val" : "CAS:67-56-1" }, { "val" : "Gmelin:449" }, { "val" : "HMDB:HMDB0001875" }, { "val" : "KEGG:C00132" }, { "val" : "KEGG:D02309" }, { "val" : "MetaCyc:METOH" }, { "val" : "PDBeChem:MOH" }, { "val" : "PMID:11141607" }, { "val" : "PMID:11430978" }, { "val" : "PMID:11489599" }, { "val" : "PMID:11680737" }, { "val" : "PMID:11684179" }, { "val" : "PMID:14012711" }, { "val" : "PMID:14678513" }, { "val" : "PMID:14760634" }, { "val" : "PMID:15172721" }, { "val" : "PMID:15906011" }, { "val" : "PMID:16705261" }, { "val" : "PMID:17451998" }, { "val" : "PMID:17733096" }, { "val" : "PMID:19064074" }, { "val" : "PMID:19850112" }, { "val" : "PMID:20314698" }, { "val" : "Reaxys:1098229" }, { "val" : "UM-BBD_compID:c0132" }, { "val" : "Wikipedia:Methanol" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH4O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH4O/c1-2/h2H,1H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OKKJLVBELUTLKV-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "32.04186" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "32.02621" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CO" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14588" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25227" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44080" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44553" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6816" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17822", "lbl" : "serine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Serine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "serine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Amino-3-hydroxypropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-hydroxypropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-Hydroxyalanine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Serin", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1721402" }, { "val" : "CAS:302-84-1" }, { "val" : "CAS:302-84-1" }, { "val" : "CAS:302-84-1" }, { "val" : "Gmelin:26429" }, { "val" : "KEGG:C00716" }, { "val" : "KNApSAcK:C00001393" }, { "val" : "Reaxys:1721402" }, { "val" : "Wikipedia:Serine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "105.09262" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "105.04259" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CO)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15081" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26648" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9116" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17855", "lbl" : "triglyceride", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Triglyceride", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "triglycerides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Triacylglycerol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Triglycerid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Triglyzerid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a triacylglycerol", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "triacylglycerols", "xrefs" : [ "LIPID_MAPS" ] }, { "pred" : "hasRelatedSynonym", "val" : "triglycerides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00422" }, { "val" : "LIPID_MAPS_class:LMGL0301" }, { "val" : "PMID:2474544" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H5O6R3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "173.10030" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "173.00861" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*]C(=O)OCC(COC([*])=O)OC([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15255" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27085" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9664" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17891", "lbl" : "donor", "type" : "CLASS", "meta" : { "definition" : { "val" : "A molecular entity that can transfer (\"donate\") an electron, a pair of electrons, an atom or a group to another molecular entity." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Donor", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Donator", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "donneur", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C01351" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14202" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4697" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17968", "lbl" : "butyrate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "butanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "butyrate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-butanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-butyrate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-propanecarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]2-COO(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "butanate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "butanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "butanoate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "butanoic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-butanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-butyrate", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "propanecarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "propylformate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:3601060" }, { "val" : "CAS:461-55-2" }, { "val" : "Gmelin:324289" }, { "val" : "KEGG:C00246" }, { "val" : "MetaCyc:BUTYRIC_ACID" }, { "val" : "PMID:17190852" }, { "val" : "PMID:7496326" }, { "val" : "Reaxys:3601060" }, { "val" : "UM-BBD_compID:c0035" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H7O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FERIUCNNQQJTOY-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "87.09718" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "87.04515" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13924" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22946" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_17992", "lbl" : "sucrose", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "SUCROSE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Sucrose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "beta-D-fructofuranosyl alpha-D-glucopyranoside", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "sucrose", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cane sugar", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Saccharose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sacharose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "White sugar", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-D-Fruf-(2<->1)-alpha-D-Glcp", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "sacarosa", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "table sugar", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:90825" }, { "val" : "CAS:57-50-1" }, { "val" : "CAS:57-50-1" }, { "val" : "CAS:57-50-1" }, { "val" : "DrugBank:DB02772" }, { "val" : "Drug_Central:4610" }, { "val" : "Gmelin:97695" }, { "val" : "HMDB:HMDB0000258" }, { "val" : "KEGG:C00089" }, { "val" : "KEGG:D00025" }, { "val" : "KEGG:D06533" }, { "val" : "KEGG:G00370" }, { "val" : "KNApSAcK:C00001151" }, { "val" : "MetaCyc:SUCROSE" }, { "val" : "PDBeChem:SUC" }, { "val" : "PMID:11021636" }, { "val" : "PMID:11093712" }, { "val" : "PMID:11111003" }, { "val" : "PMID:12065720" }, { "val" : "PMID:12706980" }, { "val" : "PMID:13508893" }, { "val" : "PMID:15291457" }, { "val" : "PMID:15660210" }, { "val" : "PMID:15792978" }, { "val" : "PMID:15845855" }, { "val" : "PMID:16228482" }, { "val" : "PMID:16304615" }, { "val" : "PMID:16313996" }, { "val" : "PMID:16525719" }, { "val" : "PMID:16660545" }, { "val" : "PMID:16663947" }, { "val" : "PMID:16665852" }, { "val" : "PMID:17233733" }, { "val" : "PMID:17439666" }, { "val" : "PMID:17597061" }, { "val" : "PMID:18625236" }, { "val" : "PMID:19199566" }, { "val" : "PMID:19726178" }, { "val" : "PMID:21703290" }, { "val" : "PMID:21972845" }, { "val" : "PMID:22085755" }, { "val" : "PMID:22311778" }, { "val" : "PMID:22404833" }, { "val" : "PMID:22751876" }, { "val" : "Reaxys:1435311" }, { "val" : "Reaxys:90825" }, { "val" : "Wikipedia:Sucrose" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C12H22O11" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "CZMRCDWAGMRECN-UGDNZRGBSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "342.29650" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "342.11621" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15128" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26812" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45795" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9314" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18059", "lbl" : "lipid", "type" : "CLASS", "meta" : { "definition" : { "val" : "'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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Lipid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lipids", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "KEGG:C01356" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14517" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25054" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6486" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18085", "lbl" : "glycosaminoglycan", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any polysaccharide containing a substantial proportion of aminomonosaccharide residues." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Glycosaminoglycan", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glycosaminoglycan", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glykosaminoglykan", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glicosaminoglicano", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycosaminoglycane", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycosaminoglycans", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C02545" }, { "val" : "Wikipedia:Glycosaminoglycan" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14361" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24398" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5495" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18133", "lbl" : "hexose", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Hexose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/", "xrefs" : [ "GlyTouCan" ] }, { "pred" : "hasRelatedSynonym", "val" : "hexoses", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "GlyGen:G70994MS" }, { "val" : "GlyTouCan:G70994MS" }, { "val" : "KEGG:C00738" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14399" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24590" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5709" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18139", "lbl" : "trimethylamine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N,N-dimethylmethanamine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Trimethylamine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "(CH3)3N", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "N(CH3)3", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N,N,N-trimethylamine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N,N-Dimethylmethanamine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "NMe3", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "TMA", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Trimethylamin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tridimethylaminomethane", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:956566" }, { "val" : "CAS:75-50-3" }, { "val" : "CAS:75-50-3" }, { "val" : "CAS:75-50-3" }, { "val" : "Gmelin:1309" }, { "val" : "HMDB:HMDB0000906" }, { "val" : "KEGG:C00565" }, { "val" : "KNApSAcK:C00001433" }, { "val" : "MetaCyc:TRIMETHYLAMINE" }, { "val" : "PDBeChem:KEN" }, { "val" : "PMID:14047118" }, { "val" : "PMID:15304308" }, { "val" : "PMID:15752091" }, { "val" : "PMID:17190852" }, { "val" : "PMID:1801314" }, { "val" : "PMID:24591617" }, { "val" : "PMID:2501587" }, { "val" : "PMID:5161463" }, { "val" : "Reaxys:956566" }, { "val" : "Wikipedia:Trimethylamine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H9N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "GETQZCLCWQTVFV-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "59.11030" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "59.07350" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CN(C)C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15261" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27125" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27127" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9732" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18140", "lbl" : "hydrogen halide", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "hydrogen halide", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen halides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HX", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrogen halides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "HX" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "1.008" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "1.00783" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[F,Cl,Br,I]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13368" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:37140" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5599" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18154", "lbl" : "polysaccharide", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Polysaccharide", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "polysaccharides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glycan", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glycane", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glykan", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glykane", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycans", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "polisacarido", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polisacaridos", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "KEGG:C00420" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14864" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26205" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8322" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18186", "lbl" : "tyrosine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Tyrosine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tyrosine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Amino-3-(p-hydroxyphenyl)propionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-(4-hydroxyphenyl)propanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-(p-Hydroxyphenyl)alanine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tyr", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tyrosin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Y", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tirosina", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:515881" }, { "val" : "CAS:55520-40-6" }, { "val" : "CAS:556-03-6" }, { "val" : "Gmelin:27744" }, { "val" : "KEGG:C01536" }, { "val" : "KNApSAcK:C00001397" }, { "val" : "PMID:17190852" }, { "val" : "Reaxys:515881" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H11NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OUYCCCASQSFEME-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "181.18858" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "181.07389" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(Cc1ccc(O)cc1)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:15277" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27176" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9800" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18211", "lbl" : "citrulline", "type" : "CLASS", "meta" : { "definition" : { "val" : "The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-amino-5-(carbamoylamino)pentanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Citrulline", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N(5)-carbamoylornithine", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "citrulline", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Amino-5-uredovaleric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cit", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Citrullin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-2-amino-5-ureidovaleric acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "N(5)-(aminocarbonyl)-DL-ornithine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "N(5)-(aminocarbonyl)ornithine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N(5)-carbamoyl-DL-ornithine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "citrulina", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "dl-citrulline", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:1725417" }, { "val" : "Beilstein:2328251" }, { "val" : "CAS:627-77-0" }, { "val" : "CAS:627-77-0" }, { "val" : "PMID:11094453" }, { "val" : "PMID:11113071" }, { "val" : "PMID:11696417" }, { "val" : "PMID:1378088" }, { "val" : "PMID:16082501" }, { "val" : "PMID:16708633" }, { "val" : "PMID:17005970" }, { "val" : "PMID:17513438" }, { "val" : "PMID:17558653" }, { "val" : "PMID:17693747" }, { "val" : "PMID:18437289" }, { "val" : "PMID:18440672" }, { "val" : "PMID:18989563" }, { "val" : "PMID:19144577" }, { "val" : "PMID:21129371" }, { "val" : "PMID:21482070" }, { "val" : "Reaxys:1725417" }, { "val" : "Wikipedia:Citrulline" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H13N3O3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "RHGKLRLOHDJJDR-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "175.18584" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "175.09569" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CCCNC(N)=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14002" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3730" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18237", "lbl" : "glutamic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-aminopentanedioic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Glutamic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glutamic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Aminoglutaric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-Glutamic acid", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-Glutaminic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "E", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glu", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glutamate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glutaminic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Glutaminsaeure", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1723799" }, { "val" : "CAS:617-65-2" }, { "val" : "CAS:617-65-2" }, { "val" : "CAS:617-65-2" }, { "val" : "Gmelin:101971" }, { "val" : "KEGG:C00302" }, { "val" : "KEGG:D04341" }, { "val" : "KNApSAcK:C00001358" }, { "val" : "KNApSAcK:C00019577" }, { "val" : "PMID:15739367" }, { "val" : "PMID:17190852" }, { "val" : "PMID:24616376" }, { "val" : "PMID:24984001" }, { "val" : "Reaxys:1723799" }, { "val" : "Wikipedia:Glutamic_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H9NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "147.12930" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "147.05316" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CCC(O)=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24314" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5431" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18248", "lbl" : "iron atom", "type" : "CLASS", "meta" : { "definition" : { "val" : "An iron group element atom that has atomic number 26." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "iron", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "26Fe", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Eisen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fe", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fe", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Iron", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "fer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ferrum", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hierro", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "iron", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7439-89-6" }, { "val" : "CAS:7439-89-6" }, { "val" : "CAS:7439-89-6" }, { "val" : "DrugBank:DB01592" }, { "val" : "HMDB:HMDB0015531" }, { "val" : "KEGG:C00023" }, { "val" : "Reaxys:4122945" }, { "val" : "WebElements:Fe" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Fe" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Fe" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XEEYBQQBJWHFJM-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "55.84500" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "55.93494" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Fe]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13322" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24872" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5974" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18254", "lbl" : "ribonucleoside", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any nucleoside where the sugar component is D-ribose." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Ribonucleoside", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "a ribonucleoside", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "ribonucleosides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00911" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H9O4R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "133.123" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "133.05008" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13014" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13015" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13685" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21085" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26560" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4240" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8844" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18257", "lbl" : "ornithine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2,5-diaminopentanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Ornithine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "ornithine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,5-Diaminopentanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,5-Diaminovaleric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-Ornithine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Orn", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:1722296" }, { "val" : "CAS:616-07-9" }, { "val" : "Gmelin:847696" }, { "val" : "KEGG:C01602" }, { "val" : "KNApSAcK:C00001384" }, { "val" : "PMID:15449570" }, { "val" : "PMID:17190852" }, { "val" : "PMID:22264337" }, { "val" : "Reaxys:1722296" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H12N2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "AHLPHDHHMVZTML-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "132.16106" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "132.08988" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCCCC(N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7784" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18282", "lbl" : "nucleobase", "type" : "CLASS", "meta" : { "definition" : { "val" : "That part of DNA or RNA that may be involved in pairing." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Base", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "nucleobases", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00701" }, { "val" : "Wikipedia:Nucleobase" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13873" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25598" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2995" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18310", "lbl" : "alkane", "type" : "CLASS", "meta" : { "definition" : { "val" : "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Alkane", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkane", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkanes", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Alkan", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "RH", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "alcane", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "alcanes", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "alcano", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "alcanos", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "an alkane", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C01371" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH3R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "15.035" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "15.02348" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C[*]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13435" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22317" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2576" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18367", "lbl" : "phosphate(3-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A phosphate ion that is the conjugate base of hydrogenphosphate." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "phosphate", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxidophosphate(3-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxophosphate(3-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxophosphate(V)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Orthophosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "PHOSPHATE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "PO4(3-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "[PO4](3-)", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:3903772" }, { "val" : "CAS:14265-44-2" }, { "val" : "CAS:14265-44-2" }, { "val" : "Gmelin:1997" }, { "val" : "KEGG:C00009" }, { "val" : "PDBeChem:PO4" }, { "val" : "Reaxys:3903772" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "O4P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NBIIXXVUZAFLBC-UHFFFAOYSA-K" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "94.97136" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "94.95507" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]P([O-])([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14791" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45024" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7793" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_18405", "lbl" : "pyridoxal 5'-phosphate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Pyridoxal 5'-phosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "PLP", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "PYRIDOXAL-5'-PHOSPHATE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphoric acid mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester", "xrefs" : [ "ChEMBL" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pyridoxal 5-phosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pyridoxal phosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "codecarboxylase", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridoxal 5'-(dihydrogen phosphate)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyridoxal 5-monophosphoric acid ester", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:234749" }, { "val" : "CAS:54-47-7" }, { "val" : "CAS:54-47-7" }, { "val" : "COMe:MOL000108" }, { "val" : "DrugBank:DB00114" }, { "val" : "Drug_Central:3506" }, { "val" : "Gmelin:465416" }, { "val" : "HMDB:HMDB0001491" }, { "val" : "KEGG:C00018" }, { "val" : "KNApSAcK:C00007503" }, { "val" : "PDBeChem:PLP" }, { "val" : "PMID:14651974" }, { "val" : "PMID:16277678" }, { "val" : "PMID:18491919" }, { "val" : "PMID:6339724" }, { "val" : "PMID:7284379" }, { "val" : "PMID:9866693" }, { "val" : "Reaxys:234749" }, { "val" : "Wikipedia:Pyridoxal_phosphate" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H10NO6P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NGVDGCNFYWLIFO-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "247.14190" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "247.02457" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]C(=O)c1c(COP(O)(O)=O)cnc(C)c1O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14977" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:234571" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26424" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:358848" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45145" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8668" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_190295", "lbl" : "inorganic calcium salt", "type" : "CLASS", "meta" : { "definition" : { "val" : "A calcium salt that lacks C-H bonds" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#2_STAR" ], "xrefs" : [ { "val" : "PMID:28457049" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_20664", "lbl" : "5beta-cholane", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "5beta-cholane", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:2048472" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C24H42" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QSHQKIURKJITMZ-OBUPQJQESA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "330.59028" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "330.32865" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_21501", "lbl" : "N-acetyl-D-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An N-acetyl-amino acid having D-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "N-Acetyl-D-amino-acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-acetyl-D-amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C03135" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7109" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_21545", "lbl" : "N-acetyl-L-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An L-amino acid having an N-acetyl substituent." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_21575", "lbl" : "N-acetyl-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An N-acyl-amino acid that has acetyl as the acyl group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "N-Acetyl amino acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-acetyl-amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C02847" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7105" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_21644", "lbl" : "N-acyl-L-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any N-acylamino acid having L-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_21731", "lbl" : "N-glycosyl compound", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glycosylamine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-glycoside", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-glycosides", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-glycosyl compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycosylamines", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22160", "lbl" : "acetamides", "type" : "CLASS", "meta" : { "definition" : { "val" : "Compounds with the general formula RNHC(=O)CH3." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22195", "lbl" : "acetyl-amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any amino acid derivative that is the N-acetyl or O-acetyl derivative of an amino acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "acetyl-amino acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22198", "lbl" : "acetylcysteine", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22221", "lbl" : "acyl group", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "acyl group", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkanoyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "acyl groups", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alkanoyl group", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "groupe acyle", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22313", "lbl" : "alkaline earth metal atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkaline earth metals", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Erdalkalimetall", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Erdalkalimetalle", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alkaline earth metal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alkaline-earth metal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alkaline-earth metals", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal alcalino-terreux", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal alcalinoterreo", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metales alcalinoterreos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metaux alcalino-terreux", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22314", "lbl" : "alkali metal atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkali metals", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Alkalimetall", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Alkalimetalle", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alkali metal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal alcalin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal alcalino", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metales alcalinos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metaux alcalins", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22315", "lbl" : "alkaloid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Alkaloid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkaloids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Alkaloide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alcaloide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alcaloides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Alkaloid" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22323", "lbl" : "alkyl group", "type" : "CLASS", "meta" : { "definition" : { "val" : "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkyl group", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alkyl groups", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "groupe alkyle", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "grupo alquilo", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "grupos alquilo", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22331", "lbl" : "alkylamines", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22333", "lbl" : "alkylating agent", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22494", "lbl" : "aminobenzoate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "aminobenzoates", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22495", "lbl" : "aminobenzoic acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "aminobenzoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aminobenzoesaeure", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C7H7NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "137.136" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "137.04768" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22506", "lbl" : "aminoglycan", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "aminoglycans", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22563", "lbl" : "anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monoatomic or polyatomic species having one or more elementary charges of the electron." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Anion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasExactSynonym", "val" : "anion", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "anion", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Anionen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aniones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anions", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22586", "lbl" : "antioxidant", "type" : "CLASS", "meta" : { "definition" : { "val" : "A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "antioxidants", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antioxydant", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antoxidant", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22587", "lbl" : "antiviral agent", "type" : "CLASS", "meta" : { "definition" : { "val" : "A substance that destroys or inhibits replication of viruses." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "anti-viral agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anti-viral agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antiviral", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antiviral agents", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "antivirals", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22651", "lbl" : "ascorbate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A ketoaldonate that is the conjugate base of ascorbic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22652", "lbl" : "ascorbic acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22658", "lbl" : "aspartate family amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "aspartate family amino acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aspartic acid family amino acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "aspartic acid family amino acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxaloacetate family amino acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxaloacetate family amino acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxaloacetate/aspartate family amino acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxaloacetate/aspartate family amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:4386082" }, { "val" : "PMID:4394351" }, { "val" : "PMID:4721772" }, { "val" : "PMID:5016260" }, { "val" : "PMID:5074276" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22695", "lbl" : "base", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Base", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasExactSynonym", "val" : "base", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "base", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Base1", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Base2", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Basen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Nucleobase", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "bases", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00701" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22712", "lbl" : "benzenes", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22718", "lbl" : "benzoates", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "benzoate anion", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22723", "lbl" : "benzoic acids", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22727", "lbl" : "benzopyran", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "benzopyrans", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Benzopyran" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22729", "lbl" : "benzoquinones", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22744", "lbl" : "benzyl group", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "benzyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bn", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "C6H5-CH2-", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "phenylalanine side-chain", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "phenylmethyl", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C7H7" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "91.13048" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "91.05478" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C1=C(C=CC=C1)C*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22823", "lbl" : "beta-alanine derivative", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22860", "lbl" : "amino-acid betaine", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "amino acid betaines", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "amino-acid betaines", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "betaines", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22868", "lbl" : "bile salt", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sodium salt of the conjugate of any bile acid with either glycine or taurine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Bile acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "bile salts", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C01558" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22918", "lbl" : "branched-chain amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "branched chain amino acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22984", "lbl" : "calcium atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "calcium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "20Ca", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ca", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ca", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Calcium", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kalzium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "calcio", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "calcium", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7440-70-2" }, { "val" : "DrugBank:DB01373" }, { "val" : "KEGG:C00076" }, { "val" : "WebElements:Ca" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Ca" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Ca" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OYPRJOBELJOOCE-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "40.07800" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "39.96259" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Ca]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_22985", "lbl" : "calcium molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "calcium molecular entity", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "calcium compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "calcium molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23004", "lbl" : "carbamoyl group", "type" : "CLASS", "meta" : { "definition" : { "val" : "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbamoyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "-C(O)NH2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "-CONH2", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "aminocarbonyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbamyl", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbamyl group", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carboxamide", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "PMID:24168430" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH2NO" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "44.03272" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "44.01364" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "*C(N)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23016", "lbl" : "carbonates", "type" : "CLASS", "meta" : { "definition" : { "val" : "Organooxygen compounds that are salts or esters of carbonic acid, H2CO3." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23019", "lbl" : "carbonyl group", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbonyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "carbonyl group", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasExactSynonym", "val" : "carbonyl group", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : ">C=O", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CO" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "28.01010" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "27.99491" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "O=C(*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23042", "lbl" : "carotene", "type" : "CLASS", "meta" : { "definition" : { "val" : "Hydrocarbon carotenoids." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "carotene", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carotenes", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "carotenes", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23044", "lbl" : "carotenoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carotenoid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "carotenes and carotenoids", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "carotenoids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:36-88-4" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23045", "lbl" : "carotenol", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "carotenols", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydroxycarotenoids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23066", "lbl" : "cephalosporin", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Cephalosporin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "cephalosphorin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cephalosphorins", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cephalosporins", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00875" }, { "val" : "PMID:10069359" }, { "val" : "PMID:11936371" }, { "val" : "PMID:12833570" }, { "val" : "PMID:24269048" }, { "val" : "PMID:3320614" }, { "val" : "PMID:6762896" }, { "val" : "PMID:8426246" }, { "val" : "Wikipedia:Cephalosporin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C7H5NO3SR2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "183.18500" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "182.99901" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3538" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23213", "lbl" : "choline ester", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "choline esters", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3666" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23217", "lbl" : "cholines", "type" : "CLASS", "meta" : { "definition" : { "val" : "A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23229", "lbl" : "chromanol", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23230", "lbl" : "chromanes", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23324", "lbl" : "citrullines", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23333", "lbl" : "cob(III)alamins", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23334", "lbl" : "cobalamins", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23341", "lbl" : "cobamides", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23354", "lbl" : "coenzyme", "type" : "CLASS", "meta" : { "definition" : { "val" : "A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "coenzyme", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "coenzymes", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23357", "lbl" : "cofactor", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "cofactor", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cofactors", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Wikipedia:Cofactor_(biochemistry)" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23367", "lbl" : "molecular entity", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "molecular entity", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "entidad molecular", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "entidades moleculares", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "entite moleculaire", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "molecular entities", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "molekulare Entitaet", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23390", "lbl" : "cobalt-corrinoid hexaamide", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23443", "lbl" : "cyclic amide", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "cyclic amide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cyclic amides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3990" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23509", "lbl" : "cysteine derivative", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "cysteine derivative", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cysteine derivatives", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25309" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23775", "lbl" : "dihydroxy-5beta-cholanic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A hydroxy-5beta-cholanic acid carrying two hydroxy groups at unspecified positions." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "dihydroxy-5beta-cholanic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C24H40O4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "392.573" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "392.29266" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23849", "lbl" : "diterpenoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "diterpenoids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "C20 isoprenoids", "xrefs" : [ "LIPID_MAPS" ] }, { "pred" : "hasRelatedSynonym", "val" : "diterpenoides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "LIPID_MAPS_class:LMPR0104" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23888", "lbl" : "drug", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "drugs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "medicine", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23905", "lbl" : "monoatomic anion", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "monoatomic anions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23906", "lbl" : "monoatomic cation", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "monoatomic cations", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_23924", "lbl" : "enzyme inhibitor", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "enzyme inhibitor", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "enzyme inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inhibidor enzimatico", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inhibidores enzimaticos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inhibiteur enzymatique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inhibiteurs enzymatiques", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24020", "lbl" : "fat-soluble vitamin (role)", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "fat-soluble vitamin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "fat-soluble vitamins", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "fettloesliche Vitamine", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:31838543" }, { "val" : "PMID:32057251" }, { "val" : "PMID:33549284" }, { "val" : "PMID:34045883" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24129", "lbl" : "furans", "type" : "CLASS", "meta" : { "definition" : { "val" : "Compounds containing at least one furan ring." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "oxacyclopenta-2,4-dienes", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24261", "lbl" : "glucocorticoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "glucocorticoids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24315", "lbl" : "glutamic acid derivative", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24318", "lbl" : "glutamine family amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "glutamine family amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:20716061" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24319", "lbl" : "EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor", "type" : "CLASS", "meta" : { "definition" : { "val" : "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 6.3.1.2 inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "EC 6.3.1.2 inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamate:ammonia ligase (ADP-forming) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamate:ammonia ligase (ADP-forming) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamine synthetase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamine synthetase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamate--ammonia ligase (EC 6.3.1.2) inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamate--ammonia ligase (EC 6.3.1.2) inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamate--ammonia ligase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamate--ammonia ligase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamine synthetase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamine synthetase inhibitors", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamylhydroxamic synthetase inhibitor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamylhydroxamic synthetase inhibitors", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Glutamine_synthetase" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24373", "lbl" : "glycine derivative", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24405", "lbl" : "glycosylglucose", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "glycosylglucoses", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24407", "lbl" : "glycosyl glycoside", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "glycosyl glycoside", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycosyl glycosides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24431", "lbl" : "chemical entity", "type" : "CLASS", "meta" : { "definition" : { "val" : "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "chemical entity", "xrefs" : [ "UniProt" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24432", "lbl" : "biological role", "type" : "CLASS", "meta" : { "definition" : { "val" : "A role played by the molecular entity or part thereof within a biological context." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "biological function", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24433", "lbl" : "group", "type" : "CLASS", "meta" : { "definition" : { "val" : "A defined linked collection of atoms or a single atom within a molecular entity." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "group", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Gruppe", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Rest", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "groupe", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "grupo", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "grupos", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24436", "lbl" : "guanidines", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24531", "lbl" : "heterocyclic antibiotic", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24532", "lbl" : "organic heterocyclic compound", "type" : "CLASS", "meta" : { "definition" : { "val" : "A cyclic compound having as ring members atoms of carbon and at least of one other element." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic heterocycle", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organic heterocyclic compounds", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24621", "lbl" : "hormone", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "endocrine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24632", "lbl" : "hydrocarbon", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound consisting of carbon and hydrogen only." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrocarbon", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrocarbons", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kohlenwasserstoff", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kohlenwasserstoffe", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hidrocarburo", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hidrocarburos", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrocarbure", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24651", "lbl" : "hydroxides", "type" : "CLASS", "meta" : { "definition" : { "val" : "Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-))." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24663", "lbl" : "hydroxy-5beta-cholanic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "hydroxy-5beta-cholanic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24669", "lbl" : "hydroxy carboxylic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any carboxylic acid with at least one hydroxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "hydroxy carboxylic acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydroxycarboxylic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydroxycarboxylic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24712", "lbl" : "hydroxymethyl group", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydroxymethyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "-CH2-OH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "serine side-chain", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH3O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "31.03392" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "31.01839" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "C(*)O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24745", "lbl" : "hydroxypyridine", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any member of the class of pyridines with at least one hydroxy substituent." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "hydroxypyridines", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24833", "lbl" : "oxoacid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "oxoacid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "oxoacids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxacids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxiacids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxo acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxy-acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxyacids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24834", "lbl" : "inorganic anion", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "inorganic anions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24835", "lbl" : "inorganic molecular entity", "type" : "CLASS", "meta" : { "definition" : { "val" : "A molecular entity that contains no carbon." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "anorganische Verbindungen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inorganic compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inorganic entity", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inorganic molecular entities", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inorganics", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24836", "lbl" : "inorganic oxide", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "inorganic oxides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24839", "lbl" : "inorganic salt", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "anorganisches Salz", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "inorganic salts", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24866", "lbl" : "salt", "type" : "CLASS", "meta" : { "definition" : { "val" : "A salt is an assembly of cations and anions." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "salt", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Salz", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Salze", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ionic compound", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ionic compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sales", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "salts", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sel", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sels", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24867", "lbl" : "monoatomic ion", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "monoatomic ions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24868", "lbl" : "organic salt", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic salts", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organisches Salz", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24870", "lbl" : "ion", "type" : "CLASS", "meta" : { "definition" : { "val" : "A molecular entity having a net electric charge." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Ion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasExactSynonym", "val" : "ion", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "ion", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ionen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "iones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24873", "lbl" : "iron molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "iron molecular entity", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "iron compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "iron molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24875", "lbl" : "iron cation", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "iron cation", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fe cation", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "iron cations", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Fe" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "55.845" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "55.93494" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24898", "lbl" : "isoleucine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isoleucine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hile", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "rel-(2R,3R)-2-amino-3-methylpentanoic acid", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:1721790" }, { "val" : "CAS:443-79-8" }, { "val" : "CAS:443-79-8" }, { "val" : "PMID:17190852" }, { "val" : "Reaxys:1721790" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H13NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "131.175" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "131.09463" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24913", "lbl" : "isoprenoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "isoprenoid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isoprenoids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "isoprenoids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "LIPID_MAPS_class:LMPR01" }, { "val" : "PMID:12769708" }, { "val" : "PMID:19219049" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24961", "lbl" : "ketoaldonate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "ketoaldonate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ketoaldonates", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24963", "lbl" : "ketoaldonic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "ketoaldonic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ketoaldonic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24973", "lbl" : "ketohexose", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any hexose containing a single ketone group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "ketohexose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ketohexoses", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24978", "lbl" : "ketose", "type" : "CLASS", "meta" : { "definition" : { "val" : "Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "ketose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ketoses", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6131" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_24995", "lbl" : "lactam", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "lactam", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lactams", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Laktam", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Laktame", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "lactams", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25000", "lbl" : "lactone", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lactone", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lactones", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Lacton", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Lakton", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Laktone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "lactona", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "lactonas", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25017", "lbl" : "leucine", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "leucine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(+-)-Leucine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "(RS)-Leucine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-4-methylpentanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-Leucine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hleu", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Leu", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Leucin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Leuzin", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:636005" }, { "val" : "CAS:328-39-2" }, { "val" : "CAS:328-39-2" }, { "val" : "Gmelin:50203" }, { "val" : "KEGG:C16439" }, { "val" : "LIPID_MAPS_instance:LMFA01100048" }, { "val" : "PMID:17439666" }, { "val" : "Reaxys:636005" }, { "val" : "Wikipedia:Leucine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H13NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ROHFNLRQFUQHCH-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "131.17296" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "131.09463" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)CC(N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25046", "lbl" : "linear tetrapyrrole", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25094", "lbl" : "lysine", "type" : "CLASS", "meta" : { "definition" : { "val" : "A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2,6-diaminohexanoic acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lysine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "K", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "LYS", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Lysin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha,epsilon-diaminocaproic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1616991" }, { "val" : "CAS:70-54-2" }, { "val" : "CAS:70-54-2" }, { "val" : "Gmelin:279284" }, { "val" : "KEGG:C16440" }, { "val" : "PMID:17439666" }, { "val" : "PMID:22264337" }, { "val" : "Reaxys:1616991" }, { "val" : "Wikipedia:Lysine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H14N2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KDXKERNSBIXSRK-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "146.18764" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "146.10553" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCCCCC(N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25105", "lbl" : "macrolide antibiotic", "type" : "CLASS", "meta" : { "definition" : { "val" : "A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Makrolidantibiotika", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "macrolide antibiotics", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25106", "lbl" : "macrolide", "type" : "CLASS", "meta" : { "definition" : { "val" : "A macrocyclic lactone with a ring of twelve or more members derived from a polyketide." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "macrolide", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "macrolides", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Makrolid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "macrolides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Macrolide" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25107", "lbl" : "magnesium atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "magnesium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "12Mg", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Magnesium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Mg", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Mg", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "magnesio", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "magnesium", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7439-95-4" }, { "val" : "DrugBank:DB01378" }, { "val" : "Gmelin:16207" }, { "val" : "KEGG:C00305" }, { "val" : "WebElements:Mg" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Mg" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Mg" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FYYHWMGAXLPEAU-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "24.30500" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "23.98504" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Mg]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25212", "lbl" : "metabolite", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "metabolite", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "metabolites", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "primary metabolites", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "secondary metabolites", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26619" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:35220" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25213", "lbl" : "metal cation", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a metal cation", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal cations", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25216", "lbl" : "metalloporphyrin", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "metalloporphyrins", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metaloporphyrins", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25274", "lbl" : "methylamines", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "methylated amines", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25340", "lbl" : "methylpyridines", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any member of the class of pyridines that carries at least one methyl substituent." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25367", "lbl" : "molecule", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any polyatomic entity that is an electrically neutral entity consisting of more than one atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "molecule", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Molekuel", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "molecula", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "molecules", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "neutral molecular compounds", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25384", "lbl" : "monocarboxylic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An oxoacid containing a single carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "monocarboxylic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25414", "lbl" : "monoatomic monocation", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "monoatomic monocations", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "monovalent inorganic cations", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "0.00000" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*+]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25435", "lbl" : "mutagen", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "mutagene", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mutagenes", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mutagenic agent", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mutageno", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mutagenos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "mutagens", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Mutagen" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25481", "lbl" : "naphthoquinone", "type" : "CLASS", "meta" : { "definition" : { "val" : "A polycyclic aromatic ketone metabolite of naphthalene." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "naphthoquinones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25512", "lbl" : "neurotransmitter", "type" : "CLASS", "meta" : { "definition" : { "val" : "An endogenous compound that is used to transmit information across the synapse between a neuron and another cell." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "neurotransmitters", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Neurotransmitter" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25555", "lbl" : "nitrogen atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "nitrogen", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "7N", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "N", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Stickstoff", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "azote", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "nitrogen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "nitrogeno", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "WebElements:N" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "14.007" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "14.00307" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25558", "lbl" : "organonitrogen heterocyclic antibiotic", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organonitrogen heterocyclic antibiotics", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25585", "lbl" : "nonmetal atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "nonmetal", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Nichtmetall", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Nichtmetalle", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "no metal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "no metales", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "non-metal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "non-metaux", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "nonmetal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "nonmetals", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25681", "lbl" : "omega-3 fatty acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "omega-3 fatty acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-3 fatty acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-3 fatty acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "omega-3 fatty acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:15129302" }, { "val" : "PMID:15253883" }, { "val" : "PMID:15555528" }, { "val" : "PMID:16741195" }, { "val" : "PMID:19154523" }, { "val" : "PMID:19439966" }, { "val" : "PMID:21975796" }, { "val" : "PMID:23643471" }, { "val" : "PMID:24012777" }, { "val" : "PMID:24122252" }, { "val" : "PMID:24128563" }, { "val" : "PMID:24172034" }, { "val" : "PMID:24211484" }, { "val" : "PMID:24240437" }, { "val" : "PMID:24246761" }, { "val" : "PMID:24281905" }, { "val" : "PMID:24397938" }, { "val" : "PMID:24401220" }, { "val" : "PMID:24418228" }, { "val" : "Wikipedia:Omega-3_fatty_acid" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25693", "lbl" : "organic heteromonocyclic compound", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic heteromonocyclic compounds", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25696", "lbl" : "organic anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any organic ion with a net negative charge." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic anions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25697", "lbl" : "organic cation", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any organic ion with a net positive charge." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic cations", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25699", "lbl" : "organic ion", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic ions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25703", "lbl" : "organic phosphate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "organic phosphate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organic phosphate ester", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organic phosphate esters", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organic phosphates", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organophosphate ester", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organophosphate esters", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Organophosphate" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25704", "lbl" : "organic sulfate", "type" : "CLASS", "meta" : { "definition" : { "val" : "Compounds of the general formula SO3HOR where R is an organyl group" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "organic sulfates", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_2571", "lbl" : "aliphatic alcohol", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alcohol derived from an aliphatic compound." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Aliphatic alcohol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "aliphatic alcohols", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "an aliphatic alcohol", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C02525" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "HOR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "17.007" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "17.00274" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "O*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25710", "lbl" : "organophosphorus compound", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "organophosphorus compound", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organophosphorus compounds", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Organophosphorus_compound" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25728", "lbl" : "osmolyte", "type" : "CLASS", "meta" : { "definition" : { "val" : "A solute used by a cell under water stress to maintain cell volume." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "osmolytes", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25741", "lbl" : "oxide", "type" : "CLASS", "meta" : { "definition" : { "val" : "An oxide is a chemical compound of oxygen with other chemical elements." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "oxide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25754", "lbl" : "oxo carboxylic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "oxo carboxylic acids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxo acids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxo carboxylic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_2580", "lbl" : "unsaturated fatty acid anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25805", "lbl" : "oxygen atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "oxygen", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "8O", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "O", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sauerstoff", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxigeno", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxygen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxygene", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00007" }, { "val" : "WebElements:O" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QVGXLLKOCUKJST-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "15.99940" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "15.99491" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25806", "lbl" : "oxygen molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "oxygen molecular entity", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxygen molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25830", "lbl" : "p-quinones", "type" : "CLASS", "meta" : { "definition" : { "val" : "A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "p-quinone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "para-quinones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25848", "lbl" : "pantothenic acids", "type" : "CLASS", "meta" : { "definition" : { "val" : "A class of amides formed from pantoic acid and beta-alanine and its derivatives." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25865", "lbl" : "penicillanic acids", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_25901", "lbl" : "pentose", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "pentose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentoses", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26020", "lbl" : "phosphate", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "phosphates", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "phosphates", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26051", "lbl" : "phosphoamino acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "phosphoamino acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26078", "lbl" : "phosphoric acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Phosphoric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "phosphoric acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxophosphoric acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "trihydrogen tetraoxophosphate(3-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "trihydroxidooxidophosphorus", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H3PO4", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Orthophosphoric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphorsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphorsaeureloesungen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[PO(OH)3]", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide phosphorique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "acidum phosphoricum", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "orthophosphoric acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:1921286" }, { "val" : "CAS:7664-38-2" }, { "val" : "CAS:7664-38-2" }, { "val" : "CAS:7664-38-2" }, { "val" : "Drug_Central:4478" }, { "val" : "Gmelin:2000" }, { "val" : "HMDB:HMDB0002142" }, { "val" : "KEGG:C00009" }, { "val" : "KEGG:D05467" }, { "val" : "KNApSAcK:C00007408" }, { "val" : "PMID:11455380" }, { "val" : "PMID:15630224" }, { "val" : "PMID:17439666" }, { "val" : "PMID:17518491" }, { "val" : "PMID:22282755" }, { "val" : "PMID:22333268" }, { "val" : "PMID:22381614" }, { "val" : "PMID:22401268" }, { "val" : "Reaxys:1921286" }, { "val" : "Wikipedia:Phosphoric_Acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "H3O4P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NBIIXXVUZAFLBC-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "97.99520" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "97.97690" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]OP(=O)(O[H])O[H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26079", "lbl" : "phosphoric acid derivative", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26082", "lbl" : "phosphorus molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "phosphorus molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26130", "lbl" : "biological pigment", "type" : "CLASS", "meta" : { "definition" : { "val" : "An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "pigments", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26167", "lbl" : "polar amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any amino acid whose side chain is capable of forming one or more hydrogen bonds." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "polar amino acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polar amino acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polar amino-acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polar amino-acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "MetaCyc:Polar-amino-acids" }, { "val" : "PMID:12016058" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H4NO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "74.059" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "74.02420" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC(C(*)N)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8283" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26188", "lbl" : "polyketide", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "polyketide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polyketides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26191", "lbl" : "polyol", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound that contains two or more hydroxy groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "polyols", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26208", "lbl" : "polyunsaturated fatty acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "PUFA", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "PUFAs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polyunsaturated fatty acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:14977874" }, { "val" : "PMID:16380690" }, { "val" : "PMID:17891522" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26214", "lbl" : "porphyrins", "type" : "CLASS", "meta" : { "definition" : { "val" : "Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "porphyrins", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Wikipedia:Porphyrin" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26216", "lbl" : "potassium atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "potassium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "19K", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "K", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kalium", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "kalium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "potasio", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "potassium", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7440-09-7" }, { "val" : "DrugBank:DB01345" }, { "val" : "KEGG:C00238" }, { "val" : "WebElements:K" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "K" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/K" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ZLMJMSJWJFRBEC-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "39.09830" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "38.96371" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[K]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26217", "lbl" : "potassium molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "potassium molecular entity", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "potassium molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26255", "lbl" : "prenylquinone", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "polyprenylquinone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "polyprenylquinones", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "prenylquinones", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:19928587" }, { "val" : "PMID:21777468" }, { "val" : "PMID:21844348" }, { "val" : "PMID:22371323" }, { "val" : "PMID:3985624" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:72751" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26348", "lbl" : "prosthetic group", "type" : "CLASS", "meta" : { "definition" : { "val" : "A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "prosthetic group", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "groupe prosthetique", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "prosthetic groups", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26373", "lbl" : "pteridines", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26375", "lbl" : "pterins", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26401", "lbl" : "purines", "type" : "CLASS", "meta" : { "definition" : { "val" : "A class of imidazopyrimidines that consists of purine and its substituted derivatives." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5N4R7" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "116.080" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "116.01230" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13678" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26416", "lbl" : "pyridine alkaloid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "pyridine alkaloids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26420", "lbl" : "pyridinemonocarboxylic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "pyridinemonocarboxylic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26421", "lbl" : "pyridines", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26432", "lbl" : "pyrimidine nucleobase", "type" : "CLASS", "meta" : { "definition" : { "val" : "A nucleobase whose skeleton is derived from pyrimidine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "pyrimidine nucleobase", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a pyrimidine nucleobase", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyrimidine bases", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyrimidine nucleobases", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4HN2R4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "77.064" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "77.01397" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N1C(=C(C(=NC1=*)*)*)*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26440", "lbl" : "pyrimidine nucleoside", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "N-D-Ribosylpyrimidine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "pyrimidine nucleosides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C03169" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26469", "lbl" : "quaternary nitrogen compound", "type" : "CLASS", "meta" : { "definition" : { "val" : "A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26537", "lbl" : "retinoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "retinoid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "retinoids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "retinoids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26607", "lbl" : "saturated fatty acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "saturated fatty acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "SFA", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "SFAs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "saturated fatty acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:16492686" }, { "val" : "PMID:19763019" }, { "val" : "PMID:20237329" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26650", "lbl" : "serine family amino acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "3-phosphoglycerate family amino acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-phosphoglycerate family amino acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "serine family amino acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:20709681" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26666", "lbl" : "short-chain fatty acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "SCFA", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "SCFAs", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "short-chain fatty acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:16633129" }, { "val" : "PMID:16870803" }, { "val" : "PMID:18203540" }, { "val" : "PMID:20148677" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH2OR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "45.017" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "44.99765" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26708", "lbl" : "sodium atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sodium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "11Na", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Na", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Natrium", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "natrium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "sodio", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "sodium", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7440-23-5" }, { "val" : "Gmelin:16221" }, { "val" : "KEGG:C01330" }, { "val" : "WebElements:Na" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Na" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Na" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KEAYESYHFKHZAL-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "22.98977" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "22.98977" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Na]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26712", "lbl" : "sodium molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "sodium compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sodium molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26714", "lbl" : "sodium salt", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any alkali metal salt having sodium(1+) as the cation." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Natriumsalz", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Natriumsalze", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sodium salts", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26764", "lbl" : "steroid hormone", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any steroid that acts as hormone." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Steroidhormon", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Steroidhormone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormona esteroide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormonas esteroideas", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormone steroide", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hormones steroides", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "steroid hormones", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26819", "lbl" : "sulfuric ester", "type" : "CLASS", "meta" : { "definition" : { "val" : "An ester of an alcohol and sulfuric acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "sulfate ester", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulfuric acid ester", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulfuric acid esters", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "O4SR2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "96.06300" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "95.95173" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*]OS(=O)(=O)O[*]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26820", "lbl" : "sulfates", "type" : "CLASS", "meta" : { "definition" : { "val" : "Salts and esters of sulfuric acid" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "sulfates", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulfuric acid derivative", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphates", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26830", "lbl" : "sulfonium compound", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26833", "lbl" : "sulfur atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sulfur", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "16S", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Elemental sulfur", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "S", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "S", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Schwefel", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "azufre", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "soufre", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulfur", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulfur", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphur", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "theion", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "CAS:7704-34-9" }, { "val" : "CAS:7704-34-9" }, { "val" : "KEGG:C00087" }, { "val" : "KEGG:D06527" }, { "val" : "PPDB:605" }, { "val" : "WebElements:S" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NINIDFKCEFEMDL-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "32.06600" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "31.97207" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[S]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26834", "lbl" : "sulfur-containing amino acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "sulfur-containing amino acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26835", "lbl" : "sulfur molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "sulfur molecular entity", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulfur molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26836", "lbl" : "sulfuric acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Sulfuric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "dihydrogen tetraoxosulfate", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "dihydroxidodioxidosulfur", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen tetraoxosulfate(2-)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen tetraoxosulfate(VI)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "sulfuric acid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sulfuric acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraoxosulfuric acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acide sulfurique", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acido sulfurico", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acidum sulfuricum", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2SO4", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Schwefelsaeureloesungen", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "[S(OH)2O2]", "xrefs" : [ "MolBase" ] }, { "pred" : "hasRelatedSynonym", "val" : "[SO2(OH)2]", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphuric acid", "xrefs" : [ "MolBase" ] } ], "xrefs" : [ { "val" : "CAS:7664-93-9" }, { "val" : "CAS:7664-93-9" }, { "val" : "CAS:7664-93-9" }, { "val" : "Gmelin:2122" }, { "val" : "KEGG:C00059" }, { "val" : "KEGG:D05963" }, { "val" : "KNApSAcK:C00007530" }, { "val" : "MolBase:4" }, { "val" : "PMID:13568755" }, { "val" : "PMID:16122922" }, { "val" : "PMID:19397353" }, { "val" : "PMID:22047659" }, { "val" : "PMID:22136045" }, { "val" : "PMID:22204399" }, { "val" : "PMID:22267186" }, { "val" : "PMID:22296037" }, { "val" : "PMID:22364556" }, { "val" : "PMID:22435616" }, { "val" : "PPDB:606" }, { "val" : "Reaxys:2037554" }, { "val" : "Wikipedia:Sulfuric_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "H2O4S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QAOWNCQODCNURD-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "98.07948" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "97.96738" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]OS(=O)(=O)O[H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26873", "lbl" : "terpenoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Terpenoid", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "terpenoids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "terpenoide", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "terpenoides", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Wikipedia:Terpenoid" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26878", "lbl" : "tertiary alcohol", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "tertiary alcohol", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "tertiary alcohols", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H7OR3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "71.09780" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "71.04969" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC(C[*])(C[*])C[*]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26895", "lbl" : "tetracyclines", "type" : "CLASS", "meta" : { "definition" : { "val" : "A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26912", "lbl" : "oxolanes", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any oxacycle having an oxolane (tetrahydrofuran) skeleton." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26932", "lbl" : "tetrapyrrole", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetrapyrrole", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetrapyrroles", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "a tetrapyrrole", "xrefs" : [ "UniProt" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26935", "lbl" : "tetraterpenoid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetraterpenoids", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "C40 isoprenoids", "xrefs" : [ "LIPID_MAPS" ] }, { "pred" : "hasRelatedSynonym", "val" : "tetraterpenoides", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "LIPID_MAPS_class:LMPR0107" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26948", "lbl" : "vitamin B1", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "vitamin B1", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "thiamine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "thiamines", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "thiamins", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B1 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B1 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B1", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "PMID:28859374" }, { "val" : "PMID:32554808" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_26979", "lbl" : "organic heterotricyclic compound", "type" : "CLASS", "meta" : { "definition" : { "val" : "An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "heterotricyclic compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organic heterotricyclic compounds", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27024", "lbl" : "toluenes", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27027", "lbl" : "micronutrient", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "micronutrients", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "trace elements", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Wikipedia:Micronutrient" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27081", "lbl" : "transition element atom", "type" : "CLASS", "meta" : { "definition" : { "val" : "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "transition element", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Uebergangselement", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Uebergangsmetalle", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal de transicion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metal de transition", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metales de transicion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "metaux de transition", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "transition element", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "transition elements", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "transition metal", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "transition metals", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27114", "lbl" : "trihydroxy-5beta-cholanic acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "trihydroxy-5beta-cholanic acids", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C24H40O5" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "408.572" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "408.28757" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27136", "lbl" : "triol", "type" : "CLASS", "meta" : { "definition" : { "val" : "A chemical compound containing three hydroxy groups." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "triols", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27171", "lbl" : "organic heterobicyclic compound", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "heterobicyclic compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "organic heterobicyclic compounds", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27207", "lbl" : "univalent carboacyl group", "type" : "CLASS", "meta" : { "definition" : { "val" : "A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "univalent acyl group", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "univalent carboacyl groups", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "univalent carboxylic acyl groups", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27208", "lbl" : "unsaturated fatty acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "Any fatty acid containing at least one C=C or C#C bond." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "alkene acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "olefinic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "unsaturated fatty acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "unsaturated fatty acids", "xrefs" : [ "LIPID_MAPS" ] } ], "xrefs" : [ { "val" : "LIPID_MAPS_class:LMFA0103" }, { "val" : "PMID:5322381" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27242", "lbl" : "uridines", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27266", "lbl" : "valine", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "valine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-methylbutanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-valine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hval", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Valin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "valina", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:506689" }, { "val" : "CAS:516-06-3" }, { "val" : "CAS:516-06-3" }, { "val" : "CAS:516-06-3" }, { "val" : "Gmelin:49877" }, { "val" : "KEGG:C16436" }, { "val" : "PMID:17190852" }, { "val" : "PMID:22770225" }, { "val" : "Reaxys:506689" }, { "val" : "Wikipedia:Valine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H11NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KZSNJWFQEVHDMF-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "117.14638" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "117.07898" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)C(N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27300", "lbl" : "vitamin D", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "D vitamins", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin D vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin D vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin Ds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins D", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "MetaCyc:Vitamin-D" }, { "val" : "Wikipedia:Vitamin_D" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27306", "lbl" : "vitamin B6", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Vitamin B6", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-6", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B6 vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B6 vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamina B6", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamine B6", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins B6", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27314", "lbl" : "water-soluble vitamin (role)", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "wasserloesliche Vitamine", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "water-soluble vitamin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "water-soluble vitamins", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27325", "lbl" : "xanthophyll", "type" : "CLASS", "meta" : { "definition" : { "val" : "A subclass of carotenoids consisting of the oxygenated carotenes." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "xanthophylls", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "xanthophylls", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "DrugBank:DB00137" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27363", "lbl" : "zinc atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "zinc", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "30Zn", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Zink", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Zn", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Zn(II)", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Zn2+", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "cinc", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "zinc", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "zincum", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7440-66-6" }, { "val" : "CAS:7440-66-6" }, { "val" : "Gmelin:16321" }, { "val" : "KEGG:C00038" }, { "val" : "PDBeChem:ZN" }, { "val" : "WebElements:Zn" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Zn" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Zn" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "HCHKCACWOHOZIP-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "65.39000" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "63.92914" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Zn]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27364", "lbl" : "zinc molecular entity", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "zinc compounds", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "zinc molecular entities", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27369", "lbl" : "zwitterion", "type" : "CLASS", "meta" : { "definition" : { "val" : "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)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "zwitterion", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "zwitterions", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "compose zwitterionique", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "compuestos zwitterionicos", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "zwitteriones", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "zwitterionic compounds", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27470", "lbl" : "folic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Acfol", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Folate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Folicet", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "Folsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-pteroyl-L-glutamic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "PGA", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "PteGlu", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acide folique", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acido folico", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acidum folicum", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "folic acid", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "pteroyl-L-glutamic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pteroyl-L-monoglutamic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pteroylglutamic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "pteroylmonoglutamic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B11", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B9", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin Bc", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin Be", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin M", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "AGR:IND606960789" }, { "val" : "Beilstein:100781" }, { "val" : "CAS:59-30-3" }, { "val" : "CAS:59-30-3" }, { "val" : "CAS:59-30-3" }, { "val" : "Chemspider:5815" }, { "val" : "DrugBank:DB00158" }, { "val" : "Drug_Central:1231" }, { "val" : "FooDB:FDB014504" }, { "val" : "HMDB:HMDB0000121" }, { "val" : "KEGG:C00504" }, { "val" : "KEGG:D00070" }, { "val" : "KNApSAcK:C00001539" }, { "val" : "LINCS:LSM-5355" }, { "val" : "MetaCyc:CPD-12826" }, { "val" : "PDBeChem:FOL" }, { "val" : "PMID:10138938" }, { "val" : "PMID:10897644" }, { "val" : "PMID:10958818" }, { "val" : "PMID:11261364" }, { "val" : "PMID:11451208" }, { "val" : "PMID:11959400" }, { "val" : "PMID:14387833" }, { "val" : "PMID:15321809" }, { "val" : "PMID:15523939" }, { "val" : "PMID:15754725" }, { "val" : "PMID:15797531" }, { "val" : "PMID:15797685" }, { "val" : "PMID:15831910" }, { "val" : "PMID:15990733" }, { "val" : "PMID:16093404" }, { "val" : "PMID:16277678" }, { "val" : "PMID:16380297" }, { "val" : "PMID:16871332" }, { "val" : "PMID:17784727" }, { "val" : "PMID:18788725" }, { "val" : "PMID:19121630" }, { "val" : "PMID:19335717" }, { "val" : "PMID:19355913" }, { "val" : "PMID:24650098" }, { "val" : "PMID:33624660" }, { "val" : "PMID:33965562" }, { "val" : "PMID:33968971" }, { "val" : "PMID:34207319" }, { "val" : "PMID:34219855" }, { "val" : "PMID:7738698" }, { "val" : "PMID:8235383" }, { "val" : "PMID:9040515" }, { "val" : "PMID:9420019" }, { "val" : "PMID:9565830" }, { "val" : "PMID:9683174" }, { "val" : "PMID:9781393" }, { "val" : "PMID:9808640" }, { "val" : "PMID:9808641" }, { "val" : "Reaxys:100781" }, { "val" : "Wikipedia:Folic_Acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C19H19N7O6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OVBPIULPVIDEAO-LBPRGKRZSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "441.39750" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "441.13968" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24075" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:42610" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5140" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:569217" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27568", "lbl" : "selenium atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "selenium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "34Se", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Se", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Selen", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Selenium", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "selenio", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "selenium", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7782-49-2" }, { "val" : "CAS:7782-49-2" }, { "val" : "DrugBank:DB11135" }, { "val" : "FooDB:FDB013400" }, { "val" : "HMDB:HMDB0001349" }, { "val" : "KEGG:C01529" }, { "val" : "WebElements:Se" }, { "val" : "Wikipedia:Selenium" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Se" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Se" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BUGBHKTXTAQXES-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "78.96000" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "79.91652" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Se]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26627" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9091" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27594", "lbl" : "carbon atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbon", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "6C", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "C", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "C", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Carbon", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kohlenstoff", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbon", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbone", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbonium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carbono", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7440-44-0" }, { "val" : "CAS:7440-44-0" }, { "val" : "KEGG:C06265" }, { "val" : "WebElements:C" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OKTJSMMVPCPJKN-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "12.01070" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "12.00000" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[C]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23009" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3399" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27638", "lbl" : "cobalt atom", "type" : "CLASS", "meta" : { "definition" : { "val" : "A cobalt group element atom that has atomic number 27." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cobalt", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "27Co", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Co", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Co", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Cobalt", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Kobalt", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "cobalt", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cobalto", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "cobaltum", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7440-48-4" }, { "val" : "CAS:7440-48-4" }, { "val" : "CAS:7440-48-4" }, { "val" : "KEGG:C00175" }, { "val" : "KEGG:C19171" }, { "val" : "PDBeChem:3CO" }, { "val" : "WebElements:Co" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Co" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Co" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "GUTLYIVDDKVIGB-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "58.93320" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "58.93319" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Co]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23335" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3788" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27780", "lbl" : "detergent", "type" : "CLASS", "meta" : { "definition" : { "val" : "A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "detergent", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Detergents", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "KEGG:C01689" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23648" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4456" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27786", "lbl" : "hydroxocobalamin", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "AlphaRedisol", "xrefs" : [ "KEGG_DRUG" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#BRAND_NAME", "pred" : "hasRelatedSynonym", "val" : "Cyanokit", "xrefs" : [ "KEGG_DRUG" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hydroxycobalamin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "OH-Cbl", "xrefs" : [ "CBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "hidroxocobalamina", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "hydroxocobalamin", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "hydroxocobalamine", "xrefs" : [ "WHO_MedNet" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "hydroxocobalaminum", "xrefs" : [ "WHO_MedNet" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin B-12b", "xrefs" : [ "CBN" ] } ], "xrefs" : [ { "val" : "CAS:13422-51-0" }, { "val" : "CAS:13422-51-0" }, { "val" : "Chemspider:28534326" }, { "val" : "DrugBank:DB00200" }, { "val" : "FooDB:FDB003166" }, { "val" : "Gmelin:5723" }, { "val" : "HMDB:HMDB0002308" }, { "val" : "KEGG:C08230" }, { "val" : "KEGG:D01027" }, { "val" : "KNApSAcK:C00050467" }, { "val" : "MetaCyc:CPD0-1256" }, { "val" : "PMID:11830394" }, { "val" : "PMID:15815367" }, { "val" : "PMID:20352539" }, { "val" : "PMID:31000316" }, { "val" : "PMID:31864779" }, { "val" : "PMID:32718732" }, { "val" : "PMID:32815652" }, { "val" : "PMID:33005568" }, { "val" : "PMID:33224611" }, { "val" : "PMID:33246585" }, { "val" : "PMID:33283331" }, { "val" : "PMID:33444605" }, { "val" : "PMID:33692053" }, { "val" : "PMID:33754111" }, { "val" : "PMID:33912838" }, { "val" : "PMID:34023033" }, { "val" : "PMID:34176677" }, { "val" : "PMID:7802338" }, { "val" : "PMID:8012169" }, { "val" : "PMID:8440794" }, { "val" : "PMID:8857117" }, { "val" : "PMID:9102519" }, { "val" : "Wikipedia:Hydroxocobalamin" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C62H89CoN13O15P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "YOZNUFWCRFCGIH-WZHZPDAFSA-K" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "1346.35510" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "1345.56706" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24652" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5795" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5803" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27902", "lbl" : "tetracycline", "type" : "CLASS", "meta" : { "definition" : { "val" : "A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(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", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "TETRACYCLINE", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Tetracycline", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "tetracycline", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(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", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Abramycin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Achromycin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Anhydrotetracycline", "xrefs" : [ "DrugBank" ] }, { "pred" : "hasRelatedSynonym", "val" : "Deschlorobiomycin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Liquamycin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tetracyclin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tetrazyklin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Tsiklomitsin", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "tetracycline", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "tetracyclinum", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:2230417" }, { "val" : "CAS:60-54-8" }, { "val" : "CAS:60-54-8" }, { "val" : "DrugBank:DB00759" }, { "val" : "Drug_Central:2611" }, { "val" : "Gmelin:1103368" }, { "val" : "KEGG:C06570" }, { "val" : "KEGG:D00201" }, { "val" : "MetaCyc:CPD0-1414" }, { "val" : "PDBeChem:TAC" }, { "val" : "PMID:11061623" }, { "val" : "PMID:11550419" }, { "val" : "PMID:11744940" }, { "val" : "PMID:12934399" }, { "val" : "PMID:14585720" }, { "val" : "PMID:15825421" }, { "val" : "PMID:15913752" }, { "val" : "PMID:16443056" }, { "val" : "PMID:1650428" }, { "val" : "PMID:16749547" }, { "val" : "PMID:17251127" }, { "val" : "PMID:17260506" }, { "val" : "PMID:18326855" }, { "val" : "PMID:18406588" }, { "val" : "PMID:19032078" }, { "val" : "PMID:19112759" }, { "val" : "PMID:19136803" }, { "val" : "PMID:25286144" }, { "val" : "PMID:26876942" }, { "val" : "Patent:US2699054" }, { "val" : "Patent:US2712517" }, { "val" : "Patent:US2886595" }, { "val" : "Patent:US3005023" }, { "val" : "Patent:US3019173" }, { "val" : "Patent:US3301899" }, { "val" : "Reaxys:2230417" }, { "val" : "VSDB:1739" }, { "val" : "Wikipedia:Tetracycline" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C22H24N2O8" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OFVLGDICTFRJMM-WESIUVDSSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "444.43460" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "444.15327" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26894" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45729" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9474" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_27933", "lbl" : "beta-lactam antibiotic", "type" : "CLASS", "meta" : { "definition" : { "val" : "An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "beta-Lactam antibiotics", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "beta-lactam antibiotics", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C03438" }, { "val" : "PMID:19254642" }, { "val" : "PMID:22594007" }, { "val" : "Wikipedia:Beta-lactam_antibiotic" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10427" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22844" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28044", "lbl" : "phenylalanine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-amino-3-phenylpropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Phenylalanine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "phenylalanine", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "phenylalanine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "DL-Phenylalanine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "F", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "PHE", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phenylalanin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-Amino-beta-phenylpropionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "fenilalanina", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1910407" }, { "val" : "CAS:150-30-1" }, { "val" : "CAS:150-30-1" }, { "val" : "Gmelin:50836" }, { "val" : "KEGG:C02057" }, { "val" : "PMID:17439666" }, { "val" : "PMID:22264337" }, { "val" : "Reaxys:1910407" }, { "val" : "Wikipedia:Phenylalanine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H11NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "COLNVLDHVKWLRT-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "165.18918" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "165.07898" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(Cc1ccccc1)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25984" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8089" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28115", "lbl" : "methylcobalamin", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-methylcobamide", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Methylcobalamin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "methylcobalamin", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "CO-METHYLCOBALAMIN", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "MeCbl", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "mecobalamin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "methylcob(III)alamin", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "CAS:13422-55-4" }, { "val" : "CAS:13422-55-4" }, { "val" : "COMe:MOL000085" }, { "val" : "DrugBank:DB03614" }, { "val" : "Gmelin:124528" }, { "val" : "KEGG:C06453" }, { "val" : "KEGG:D03246" }, { "val" : "PDBeChem:COB" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C63H91CoN13O14P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "JEWJRMKHSMTXPP-WZHZPDAFSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "1344.38230" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "1343.58780" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25291" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:48831" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6869" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28260", "lbl" : "galactose", "type" : "CLASS", "meta" : { "definition" : { "val" : "An aldohexose that is the C-4 epimer of glucose." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Galactose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "galacto-hexose", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "galactose", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Gal", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Galaktose", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:26566-61-0" }, { "val" : "CAS:26566-61-0" }, { "val" : "KEGG:C01582" }, { "val" : "Wikipedia:Galactose" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H12O6" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "180.156" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "180.06339" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24162" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:33933" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5256" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28383", "lbl" : "alpha,omega-dicarboxylic acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "alpha,omega-Dicarboxylic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha(omega)-Dicarboxylic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha,omega-dicarboxylic acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C04025" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10197" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13780" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22361" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28384", "lbl" : "vitamin K", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Vitamin K", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin K vitamer", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamin K vitamers", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamine K", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "vitamins K", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:12001-79-5" }, { "val" : "CAS:12001-79-5" }, { "val" : "KEGG:C01628" }, { "val" : "MetaCyc:CPD-11501" }, { "val" : "PMID:26413183" }, { "val" : "PMID:33255760" }, { "val" : "PMID:34109217" }, { "val" : "Wikipedia:Vitamin_K" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10009" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27301" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27307" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28425", "lbl" : "alpha-carotene", "type" : "CLASS", "meta" : { "definition" : { "val" : "A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "alpha-Carotene", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "alpha-carotene", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "beta,epsilon-carotene", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "all-trans-alpha-carotene", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:2067408" }, { "val" : "Beilstein:3227599" }, { "val" : "CAS:432-70-2" }, { "val" : "HMDB:HMDB0003993" }, { "val" : "KEGG:C05433" }, { "val" : "KNApSAcK:C00003765" }, { "val" : "LIPID_MAPS_instance:LMPR01070258" }, { "val" : "PMID:23620017" }, { "val" : "PMID:24169341" }, { "val" : "PMID:9408998" }, { "val" : "Reaxys:2682045" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C40H56" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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+" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ANVAOWXLWRTKGA-JLTXGRSLSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "536.87264" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "536.43820" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:10215" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22447" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28616", "lbl" : "carbamic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "CARBAMIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Carbamic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbamic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aminoameisensaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Aminoformic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Carbamate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Carbamidsaeure", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1734754" }, { "val" : "CAS:463-77-4" }, { "val" : "CAS:463-77-4" }, { "val" : "DrugBank:DB04261" }, { "val" : "Gmelin:130345" }, { "val" : "KEGG:C01563" }, { "val" : "PDBeChem:OUT" }, { "val" : "Wikipedia:Carbamic_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH3NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KXDHJXZQYSOELW-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "61.04006" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "61.01638" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22504" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23002" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3386" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44573" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28659", "lbl" : "phosphorus atom", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "phosphorus", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "15P", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "P", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "P", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphor", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Phosphorus", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "fosforo", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "phosphore", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "phosphorus", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "CAS:7723-14-0" }, { "val" : "CAS:7723-14-0" }, { "val" : "Gmelin:16235" }, { "val" : "KEGG:C06262" }, { "val" : "WebElements:P" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OAICVXFJPJFONN-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "30.97376" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "30.97376" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[P]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26080" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8168" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28757", "lbl" : "fructose", "type" : "CLASS", "meta" : { "definition" : { "val" : "A ketohexose that is an isomer of glucose." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Fructose", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "arabino-hex-2-ulose", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "fructose", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fru", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fruchtzucker", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fruktose", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "arabino-Hexulose", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "CAS:30237-26-4" }, { "val" : "DrugBank:DB04173" }, { "val" : "KEGG:C01496" }, { "val" : "Wikipedia:Fructose" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24104" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24110" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5172" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28838", "lbl" : "lutein", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "Lutein", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "lutein", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bo-Xan", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "E 161b", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Xanthophyll", "xrefs" : [ "KEGG_COMPOUND" ] } ], "xrefs" : [ { "val" : "Beilstein:2068550" }, { "val" : "CAS:127-40-2" }, { "val" : "CAS:127-40-2" }, { "val" : "DrugBank:DB00137" }, { "val" : "Drug_Central:4145" }, { "val" : "HMDB:HMDB0003233" }, { "val" : "KEGG:C08601" }, { "val" : "KNApSAcK:C00003776" }, { "val" : "LIPID_MAPS_instance:LMPR01070274" }, { "val" : "MetaCyc:CPD1F-119" }, { "val" : "PDBeChem:LUT" }, { "val" : "PMID:10714278" }, { "val" : "PMID:14670087" }, { "val" : "PMID:23543147" }, { "val" : "PMID:24451312" }, { "val" : "Reaxys:2068550" }, { "val" : "Wikipedia:Lutein" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C40H56O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KBPHJBAIARWVSC-RGZFRNHPSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "568.87144" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "568.42803" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:27324" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:43817" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6576" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28868", "lbl" : "fatty acid anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Fatty acid anion", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Alkanate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fettsaeureanion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fettsaeureanionen", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a fatty acid", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "acido graso anionico", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "acidos grasos anionicos", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "anion de l'acide gras", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "fatty acid anions", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C02403" }, { "val" : "PMID:18628202" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "44.00950" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "43.98983" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]C([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13634" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24022" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4985" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28938", "lbl" : "ammonium", "type" : "CLASS", "meta" : { "definition" : { "val" : "An onium cation obtained by protonation of ammonia." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "ammonium", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "ammonium", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "azanium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ammonium(1+)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH4(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH4(+)", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH4+", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "[NH4](+)", "xrefs" : [ "MolBase" ] }, { "pred" : "hasRelatedSynonym", "val" : "ammonium cation", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "ammonium ion", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "CAS:14798-03-9" }, { "val" : "CAS:14798-03-9" }, { "val" : "Gmelin:84" }, { "val" : "KEGG:C01342" }, { "val" : "MetaCyc:AMMONIUM" }, { "val" : "MolBase:929" }, { "val" : "PDBeChem:NH4" }, { "val" : "PMID:11319011" }, { "val" : "PMID:11341317" }, { "val" : "PMID:12096804" }, { "val" : "PMID:14512268" }, { "val" : "PMID:14879753" }, { "val" : "PMID:16345391" }, { "val" : "PMID:16903292" }, { "val" : "PMID:17392693" }, { "val" : "PMID:18515490" }, { "val" : "PMID:19199063" }, { "val" : "PMID:19596600" }, { "val" : "PMID:19682559" }, { "val" : "PMID:19716251" }, { "val" : "PMID:21993530" }, { "val" : "PMID:22265469" }, { "val" : "PMID:22524020" }, { "val" : "PMID:22562341" }, { "val" : "PMID:22631217" }, { "val" : "Reaxys:16093784" }, { "val" : "Wikipedia:Ammonium" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "H4N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H3N/h1H3/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QGZKDVFQNNGYKY-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "18.03850" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "18.03383" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H][N+]([H])([H])[H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22534" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:49783" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:7435" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28939", "lbl" : "N-acetyl-L-cysteine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "N-ACETYL-L-CYSTEINE", "xrefs" : [ "PDBeChem" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "N-acetyl-L-cysteine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-acetylamino-3-sulfanylpropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-2-acetylamino-3-mercaptopropanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-mercapturic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acetylcysteine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-acetylcysteine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-alpha-acetamido-beta-mercaptopropionic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-acetyl-L-(+)-cysteine", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "N-acetylcysteine", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "NAC", "xrefs" : [ "ChEBI" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acetilcisteina", "xrefs" : [ "ChemIDplus" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#INN", "pred" : "hasRelatedSynonym", "val" : "acetylcysteinum", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "mercapturic acid", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:1724426" }, { "val" : "CAS:616-91-1" }, { "val" : "CAS:616-91-1" }, { "val" : "CAS:616-91-1" }, { "val" : "DrugBank:DB06151" }, { "val" : "Drug_Central:66" }, { "val" : "Gmelin:142554" }, { "val" : "HMDB:HMDB0001890" }, { "val" : "KEGG:C06809" }, { "val" : "KEGG:D00221" }, { "val" : "LINCS:LSM-4672" }, { "val" : "MetaCyc:CPD-9175" }, { "val" : "PDBeChem:SC2" }, { "val" : "PMID:10651166" }, { "val" : "PMID:11544433" }, { "val" : "PMID:12057717" }, { "val" : "PMID:15025780" }, { "val" : "PMID:15647642" }, { "val" : "PMID:17174578" }, { "val" : "PMID:19580823" }, { "val" : "PMID:2026726" }, { "val" : "PMID:20819793" }, { "val" : "PMID:24119926" }, { "val" : "PMID:25553484" }, { "val" : "PMID:9624310" }, { "val" : "PMID:9711192" }, { "val" : "Reaxys:1724426" }, { "val" : "Wikipedia:Acetylcysteine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H9NO3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "PWKSKIMOESPYIA-BYPYZUCNSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "163.19590" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "163.03031" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(=O)N[C@@H](CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21548" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2418" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45481" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28965", "lbl" : "dicarboxylic acid dianion", "type" : "CLASS", "meta" : { "definition" : { "val" : "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "dicarboxylic acid dianion", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "a dicarboxylate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "dicarboxylate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "dicarboxylates", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "dicarboxylic acid dianions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2O4R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "88.019" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "87.97966" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]C(=O)[*]C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13632" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23688" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23689" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:38711" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_28976", "lbl" : "carbonic acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Carbonic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "carbonic acid", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "dihydroxidooxidocarbon", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Dihydrogen carbonate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2CO3", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2CO3", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Koehlensaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[CO(OH)2]", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "CAS:463-79-6" }, { "val" : "CAS:463-79-6" }, { "val" : "Gmelin:25554" }, { "val" : "KEGG:C01353" }, { "val" : "PDBeChem:CO3" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH2O3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BVKZGUZCCUSVTD-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "62.02478" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "62.00039" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "OC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13351" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23017" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23744" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3401" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29016", "lbl" : "arginine", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Arginine", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "arginine", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Amino-5-guanidinovaleric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-5-(carbamimidamido)pentanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-5-guanidinopentanoic acid", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "Arginin", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Harg", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:1725411" }, { "val" : "CAS:7200-25-1" }, { "val" : "KEGG:C02385" }, { "val" : "PMID:10848923" }, { "val" : "Reaxys:1725411" }, { "val" : "Wikipedia:L-Arginine" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H14N4O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ODKSFYDXXFIFQN-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "174.20112" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "174.11168" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CCCNC(N)=N)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22616" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2643" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29032", "lbl" : "(R)-pantothenate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "(R)-Pantothenate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "(R)-pantothenate", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pantothenate", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "CAS:20938-62-9" }, { "val" : "Gmelin:775395" }, { "val" : "MetaCyc:PANTOTHENATE" }, { "val" : "PMID:15565250" }, { "val" : "PMID:16042590" }, { "val" : "Reaxys:3907450" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H16NO5" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "GHOKWGTUZJEAQD-ZETCQYMHSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "218.22708" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "218.10340" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:11008" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:18700" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29057", "lbl" : "keratan", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#1_STAR" ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14490" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24954" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29067", "lbl" : "carboxylic acid anion", "type" : "CLASS", "meta" : { "definition" : { "val" : "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "a carboxylate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "carboxylic acid anions", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "carboxylic anions", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CO2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "44.00950" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "43.98983" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]C([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13626" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13945" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23026" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:58657" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29101", "lbl" : "sodium(1+)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monoatomic monocation obtained from sodium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sodium cation", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sodium(1+)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sodium(1+) ion", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sodium(I) cation", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Na(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Na(+)", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Na+", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "SODIUM ION", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "CAS:17341-25-2" }, { "val" : "CAS:17341-25-2" }, { "val" : "Gmelin:15196" }, { "val" : "KEGG:C01330" }, { "val" : "PDBeChem:NA" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Na" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Na/q+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FKNQFGJONOIPTF-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "22.98977" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "22.98922" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Na+]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26717" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:49766" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:9175" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29103", "lbl" : "potassium(1+)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monoatomic monocation obtained from potassium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "potassium cation", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "potassium(1+)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "potassium(1+) ion", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "potassium(I) cation", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "K(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "K(+)", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "K+", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "POTASSIUM ION", "xrefs" : [ "PDBeChem" ] } ], "xrefs" : [ { "val" : "CAS:24203-36-9" }, { "val" : "Gmelin:15203" }, { "val" : "KEGG:C00238" }, { "val" : "KEGG:D08403" }, { "val" : "PDBeChem:K" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "K" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/K/q+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NPYPAHLBTDXSSS-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "39.09830" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "38.96316" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[K+]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26219" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:49685" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8345" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29108", "lbl" : "calcium(2+)", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "calcium(2+)", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "calcium(2+) ion", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "calcium(II) cation", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "CALCIUM ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ca(2+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ca(2+)", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ca2+", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "calcium, doubly charged positive ion", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "CAS:14127-61-8" }, { "val" : "CAS:14127-61-8" }, { "val" : "Gmelin:6850" }, { "val" : "KEGG:C00076" }, { "val" : "PDBeChem:CA" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "Ca" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/Ca/q+2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BHPQYMZQTOCNFJ-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "40.07800" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "39.96149" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[Ca++]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22988" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3308" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:48760" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29214", "lbl" : "sulfonic acid", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydridohydroxidodioxidosulfur", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "sulfonic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HSHO3", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Sulfonsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[SHO2(OH)]", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide sulfonique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "sulphonic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Gmelin:1404640" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "H2O3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BDHFUVZGWQCTTF-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "82.08008" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "81.97247" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]S(O)(=O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29228", "lbl" : "hydrogen fluoride", "type" : "CLASS", "meta" : { "definition" : { "val" : "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Hydrogen fluoride", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "fluorane", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "fluoridohydrogen", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen fluoride", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fluoride", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Fluorwasserstoff", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "HF", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hydrogenfluorid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "[HF]", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "fluorure d'hydrogene", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrofluoric acid", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "CAS:7664-39-3" }, { "val" : "CAS:7664-39-3" }, { "val" : "CAS:7664-39-3" }, { "val" : "Drug_Central:4499" }, { "val" : "Gmelin:166" }, { "val" : "KEGG:C16487" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "FH" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/FH/h1H" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KRHYYFGTRYWZRS-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "20.00634" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "20.00623" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "F[H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29337", "lbl" : "azanide", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "amide", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "azanide", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "dihydridonitrate(1-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH2(-)", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "H2N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/H2N/h1H2/q-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "HYGWNUKOUCZBND-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "16.02262" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "16.01927" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H][N-][H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29340", "lbl" : "hydridonitrate(2-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A divalent inorganic anion resulting from the removal of two protons from ammonia." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "azanediide", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydridonitrate(2-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH(2-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "imide", "xrefs" : [ "IUPAC" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "HN" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/HN/h1H/q-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "DZQYTNGKSBCIOE-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "15.01468" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "15.01200" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[N--][H]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29347", "lbl" : "monocarboxylic acid amide", "type" : "CLASS", "meta" : { "definition" : { "val" : "A carboxamide derived from a monocarboxylic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "monocarboxylic acid amides", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CNOR3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "42.01680" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "41.99799" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*]N([*])C([*])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13211" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22207" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25383" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:6977" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29747", "lbl" : "cholate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A bile acid anion that is the conjugate base of cholic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "cholate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:3915750" }, { "val" : "Reaxys:3915750" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C24H39O5" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BHQCQFFYRZLCQQ-OELDTZBJSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "407.56346" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "407.28030" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[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" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:11895" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13978" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20216" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23168" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:57748" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29985", "lbl" : "L-glutamate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "L-glutamate(1-)", "xrefs" : [ "JCBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen L-glutamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-ammoniopentanedioate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamic acid monoanion", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "CAS:11070-68-1" }, { "val" : "Gmelin:936654" }, { "val" : "MetaCyc:GLT" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H8NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-VKHMYHEASA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "146.12136" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "146.04588" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+][C@@H](CCC([O-])=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13107" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21301" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29986", "lbl" : "D-glutamate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group" }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "D-glutamate(1-)", "xrefs" : [ "JCBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen D-glutamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-ammoniopentanedioate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-glutamate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-glutamic acid monoanion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:8319427" }, { "val" : "MetaCyc:D-GLT" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H8NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-GSVOUGTGSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "146.12136" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "146.04588" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+][C@H](CCC([O-])=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12979" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:21022" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29987", "lbl" : "glutamate(2-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A dicarboxylic acid dianion that is the conjugate base of glutamate(1-)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-aminopentanedioate", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glutamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "glutamate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "glutamic acid dianion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:4134100" }, { "val" : "Gmelin:327903" }, { "val" : "Reaxys:4134100" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H7NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-UHFFFAOYSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "145.11342" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "145.03860" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CCC([O-])=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29988", "lbl" : "L-glutamate(2-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(2S)-2-aminopentanedioate", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-glutamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "L-glutamate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-glutamic acid dianion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:327905" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H7NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-VKHMYHEASA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "145.11342" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "145.03860" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](CCC([O-])=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_29989", "lbl" : "D-glutamate(2-)", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(2R)-2-aminopentanedioate", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-glutamate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "D-glutamate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-glutamic acid dianion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:8143000" }, { "val" : "Gmelin:327904" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H7NO4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "WHUUTDBJXJRKMK-GSVOUGTGSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "145.11342" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "145.03860" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](CCC([O-])=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30089", "lbl" : "acetate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "acetate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "acetate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "ACETATE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Azetat", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-COO(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ethanoat", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "MeCO2 anion", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "acetic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethanoate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1901470" }, { "val" : "CAS:71-50-1" }, { "val" : "CAS:71-50-1" }, { "val" : "DrugBank:DB03166" }, { "val" : "Gmelin:1379" }, { "val" : "KEGG:C00033" }, { "val" : "MetaCyc:ACET" }, { "val" : "PDBeChem:ACT" }, { "val" : "PMID:17190852" }, { "val" : "PMID:22211106" }, { "val" : "PMID:22371380" }, { "val" : "Reaxys:1901470" }, { "val" : "UM-BBD_compID:c0050" }, { "val" : "Wikipedia:Acetate" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H3O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "QTBSBXVTEAMEQO-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "59.04402" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "59.01385" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13704" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22165" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:40480" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30353", "lbl" : "isopropyl group", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isopropyl", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "propan-2-yl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(CH3)2CH-", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "-CH(CH3)2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-methylethyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "iPr", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "valine side-chain", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H7" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "43.08768" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "43.05478" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(*)C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30356", "lbl" : "isobutyl group", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-methylpropan-1-ido", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-methylpropyl", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isobutyl", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(CH3)2CH-CH2-", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "-CH2-CH(CH3)2", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "iBu", "xrefs" : [ "CBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "leucine side-chain", "xrefs" : [ "ChEBI" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H9" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "57.11426" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "57.07043" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)C*" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30363", "lbl" : "isobutane", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alkane that is propane substituted by a methyl group at position 2." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-methylpropane", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isobutane", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(CH3)2CH-CH3", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "E943b", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "R-600a", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:1730720" }, { "val" : "CAS:75-28-5" }, { "val" : "CAS:75-28-5" }, { "val" : "Gmelin:1301" }, { "val" : "KEGG:D04623" }, { "val" : "PMID:24179026" }, { "val" : "PMID:24464945" }, { "val" : "Reaxys:1730720" }, { "val" : "Wikipedia:Isobutane" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H10" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NNPPMTNAJDCUHE-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "58.12220" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "58.07825" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30411", "lbl" : "cobalamin", "type" : "CLASS", "meta" : { "definition" : { "val" : "A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "COBALAMIN", "xrefs" : [ "PDBeChem" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cobalamin", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "COMe:MOL000036" }, { "val" : "PDBeChem:B12" }, { "val" : "PMID:11371572" }, { "val" : "PMID:15181872" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30412", "lbl" : "monoatomic dication", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasRelatedSynonym", "val" : "Divalent cation", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "divalent inorganic cations", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "monoatomic dications", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C00572" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "0.00000" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[*++]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:23856" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:4665" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30413", "lbl" : "heme", "type" : "CLASS", "meta" : { "definition" : { "val" : "A heme is any tetrapyrrolic chelate of iron." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "heme", "xrefs" : [ "IUPAC" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "heme", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "heme", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hemes", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Haem", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "haem", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "haem", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "haeme", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hem", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "hemos", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "COMe:MOL000025" }, { "val" : "DrugBank:DB03014" }, { "val" : "KEGG:C00032" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14386" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24491" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30527", "lbl" : "flavin", "type" : "CLASS", "meta" : { "definition" : { "val" : "A derivative of the dimethylisoalloxazine (7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione) skeleton, with a substituent on the 10 position." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Flavin", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "flavins", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "KEGG:C00176" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C12H9N4O2R" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "241.22550" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "241.07255" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "Cc1cc2nc3c(nc(=O)[nH]c3=O)n([*])c2cc1C" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24042" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5073" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30623", "lbl" : "oxalate(2-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "ethanedioate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "OXALATE ION", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethanedioic acid, ion(2-)", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "ox", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "oxalate", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "Beilstein:1905970" }, { "val" : "CAS:338-70-5" }, { "val" : "Gmelin:2207" }, { "val" : "KEGG:C00209" }, { "val" : "PDBeChem:OXL" }, { "val" : "Reaxys:1905970" }, { "val" : "UM-BBD_compID:c0017" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2O4" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MUBZPKHOEPUJKR-UHFFFAOYSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "88.01900" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "87.98076" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]C(=O)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14702" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25729" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:44820" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30751", "lbl" : "formic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "FORMIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Formic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "formic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acide formique", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Ameisensaeure", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "H-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "HCO2H", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "HCOOH", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Methanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "aminic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "bilorin", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "formylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "hydrogen carboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "methoic acid", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "BPDB:1749" }, { "val" : "Beilstein:1209246" }, { "val" : "CAS:64-18-6" }, { "val" : "CAS:64-18-6" }, { "val" : "CAS:64-18-6" }, { "val" : "DrugBank:DB01942" }, { "val" : "Gmelin:1008" }, { "val" : "HMDB:HMDB0000142" }, { "val" : "KEGG:C00058" }, { "val" : "KNApSAcK:C00001182" }, { "val" : "LIPID_MAPS_instance:LMFA01010040" }, { "val" : "MetaCyc:FORMATE" }, { "val" : "PDBeChem:FMT" }, { "val" : "PMID:12591956" }, { "val" : "PMID:14637377" }, { "val" : "PMID:15811469" }, { "val" : "PMID:16120414" }, { "val" : "PMID:16185830" }, { "val" : "PMID:16222862" }, { "val" : "PMID:16230297" }, { "val" : "PMID:16445901" }, { "val" : "PMID:16465784" }, { "val" : "PMID:18034701" }, { "val" : "PMID:18397576" }, { "val" : "PMID:22080171" }, { "val" : "PMID:22280475" }, { "val" : "PMID:22304812" }, { "val" : "PMID:22385261" }, { "val" : "PMID:22447125" }, { "val" : "PMID:22483350" }, { "val" : "PMID:22499553" }, { "val" : "PMID:22540994" }, { "val" : "PMID:22606986" }, { "val" : "PMID:22622393" }, { "val" : "PMID:3946945" }, { "val" : "PMID:7361809" }, { "val" : "Patent:CN101481304" }, { "val" : "Reaxys:1209246" }, { "val" : "Wikipedia:Formic_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "CH2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "BDAGIHXWWSANSR-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "46.02538" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "46.00548" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H]C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24082" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:42460" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5145" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30768", "lbl" : "propionic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Propionic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "propanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "propionic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-CH2-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "PA", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "PROPANOIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Propanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Propionsaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide propanoique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide propionique", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "carboxyethane", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethylformic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "metacetonic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "methylacetic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "propioic acid", "xrefs" : [ "LIPID_MAPS" ] }, { "pred" : "hasRelatedSynonym", "val" : "propoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pseudoacetic acid", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:506071" }, { "val" : "CAS:79-09-4" }, { "val" : "CAS:79-09-4" }, { "val" : "CAS:79-09-4" }, { "val" : "DrugBank:DB03766" }, { "val" : "Gmelin:1821" }, { "val" : "KEGG:C00163" }, { "val" : "KEGG:D02310" }, { "val" : "LIPID_MAPS_instance:LMFA01010003" }, { "val" : "PDBeChem:PPI" }, { "val" : "PMID:15868474" }, { "val" : "PMID:1628870" }, { "val" : "PMID:16763906" }, { "val" : "PPDB:1341" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XBDQKXXYIPTUBI-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "74.07850" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "74.03678" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26304" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45227" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8476" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30772", "lbl" : "butyric acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Butyric acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "butanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "butyric acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-butanoic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-butyric acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-propanecarboxylic acid", "xrefs" : [ "MetaCyc" ] }, { "pred" : "hasRelatedSynonym", "val" : "4:0", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "BUTANOIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasRelatedSynonym", "val" : "Butanoate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Butanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Buttersaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "C4:0", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]2-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide butanoique", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide butyrique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "butanic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "butoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "ethylacetic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-butanoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-butyric acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "propanecarboxylic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "propylformic acid", "xrefs" : [ "MetaCyc" ] } ], "xrefs" : [ { "val" : "Beilstein:906770" }, { "val" : "CAS:107-92-6" }, { "val" : "CAS:107-92-6" }, { "val" : "CAS:107-92-6" }, { "val" : "DrugBank:DB03568" }, { "val" : "Gmelin:26242" }, { "val" : "HMDB:HMDB0000039" }, { "val" : "KEGG:C00246" }, { "val" : "KNApSAcK:C00001180" }, { "val" : "LIPID_MAPS_instance:LMFA01010004" }, { "val" : "MetaCyc:BUTYRIC_ACID" }, { "val" : "PDBeChem:BUA" }, { "val" : "PMID:10736622" }, { "val" : "PMID:10956204" }, { "val" : "PMID:11201044" }, { "val" : "PMID:11208715" }, { "val" : "PMID:11238216" }, { "val" : "PMID:11305323" }, { "val" : "PMID:12068484" }, { "val" : "PMID:13678314" }, { "val" : "PMID:14962641" }, { "val" : "PMID:1542095" }, { "val" : "PMID:15809727" }, { "val" : "PMID:15810631" }, { "val" : "PMID:15938880" }, { "val" : "PMID:19318247" }, { "val" : "PMID:19366864" }, { "val" : "PMID:19703412" }, { "val" : "PMID:21699495" }, { "val" : "PMID:22038864" }, { "val" : "PMID:22194341" }, { "val" : "PMID:22322557" }, { "val" : "PMID:22339023" }, { "val" : "PMID:22466881" }, { "val" : "Reaxys:906770" }, { "val" : "Wikipedia:Butyric_acid" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C4H8O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FERIUCNNQQJTOY-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "88.10510" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "88.05243" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:113450" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22948" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:3234" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:41208" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30776", "lbl" : "hexanoic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A C6, straight-chain saturated fatty acid." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "HEXANOIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Hexanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hexanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-hexanoic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-pentanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "6:0", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "C6:0", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]4-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hexanoate", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Hexylic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pentanecarboxylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "butylacetic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "caproic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "capronic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "hexoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-Caproic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexanoic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexoic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-hexylic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentiformic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentylformic acid", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:773837" }, { "val" : "CAS:142-62-1" }, { "val" : "CAS:142-62-1" }, { "val" : "CAS:142-62-1" }, { "val" : "ECMDB:ECMDB21229" }, { "val" : "Gmelin:185066" }, { "val" : "HMDB:HMDB0000535" }, { "val" : "KEGG:C01585" }, { "val" : "KNApSAcK:C00001218" }, { "val" : "LIPID_MAPS_instance:LMFA01010006" }, { "val" : "MetaCyc:HEXANOATE" }, { "val" : "PDBeChem:6NA" }, { "val" : "PMID:10685018" }, { "val" : "PMID:1556177" }, { "val" : "PMID:24357269" }, { "val" : "PMID:24924750" }, { "val" : "Reaxys:773837" }, { "val" : "Wikipedia:Hexanoic_acid" }, { "val" : "YMDB:YMDB01424" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H12O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FUZZWVXGSFPDMH-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "116.15830" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "116.08373" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCCCC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:24571" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:40213" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:5702" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30879", "lbl" : "alcohol", "type" : "CLASS", "meta" : { "definition" : { "val" : "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Alcohol", "xrefs" : [ "KEGG_COMPOUND" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "alcohols", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "an alcohol", "xrefs" : [ "UniProt" ] } ], "xrefs" : [ { "val" : "KEGG:C00069" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "HOR" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "17.007" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "17.00274" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "O[*]" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:13804" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22288" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:2553" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_30938", "lbl" : "6-aminopenicillanate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Gmelin:604420" }, { "val" : "KEGG:C02954" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C8H11N2O3S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NGHVIOIJCVXTGV-ALEPSDHESA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "215.25062" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "215.04959" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[H][C@@]1(N)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:12207" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:20704" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_3098", "lbl" : "bile acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "Bile acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "5beta-bile acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "5beta-bile acids", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Bile salt", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "Gallensaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Gallensaeuren", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "bile acids", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "KEGG:C01558" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_31011", "lbl" : "valerate", "type" : "CLASS", "meta" : { "definition" : { "val" : "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." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "pentanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3-[CH2]3-COO(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "n-propylacetate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentanoate", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "pentanoic acid, ion(1-)", "xrefs" : [ "ChemIDplus" ] } ], "xrefs" : [ { "val" : "Beilstein:3903735" }, { "val" : "CAS:10023-74-2" }, { "val" : "Gmelin:325619" }, { "val" : "PMID:17314444" }, { "val" : "PMID:18783570" }, { "val" : "Reaxys:3903735" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H9O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "NQPDZGIKBAWPEJ-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "101.12376" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "101.06080" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CCCCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14751" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25890" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32442", "lbl" : "L-cysteinate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of cysteinate(1-)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "L-cysteinate(1-)", "xrefs" : [ "JCBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen L-cysteinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-mercaptopropanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-sulfanylpropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-cysteine anion", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-cysteine monoanion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:4128886" }, { "val" : "Gmelin:325857" }, { "val" : "Reaxys:4128886" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-REOHCLBHSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "120.15128" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "120.01247" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](CS)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32443", "lbl" : "L-cysteinate(2-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of cysteinate(2-)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-cysteinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "L-cysteinate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-sulfidopropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-cysteine dianion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:5921923" }, { "val" : "Gmelin:325856" }, { "val" : "Reaxys:5921923" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H5NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-REOHCLBHSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "119.14334" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "119.00520" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](C[S-])C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32445", "lbl" : "L-cysteinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of cysteinium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-cysteinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1R)-1-carboxy-2-mercaptoethanaminium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1R)-1-carboxy-2-sulfanylethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-cysteine cation", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-cysteinium(1+)", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Gmelin:325860" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-REOHCLBHSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "122.16716" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "122.02703" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+][C@@H](CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32449", "lbl" : "D-cysteinate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of cysteinate(1-)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "D-cysteinate(1-)", "xrefs" : [ "JCBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen D-cysteinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-mercaptopropanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-sulfanylpropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-cysteine monoanion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:1006156" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UWTATZPHSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "120.15128" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "120.01247" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](CS)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32450", "lbl" : "D-cysteinate(2-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of cysteinate(2-)." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-cysteinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "D-cysteinate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-sulfidopropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-cysteine dianion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:1342792" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H5NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UWTATZPHSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "119.14334" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "119.00520" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](C[S-])C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32451", "lbl" : "D-cysteinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of cysteinium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-cysteinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1S)-1-carboxy-2-mercaptoethanaminium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1S)-1-carboxy-2-sulfanylethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-cysteine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:363237" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UWTATZPHSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "122.16716" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "122.02703" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+][C@H](CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32456", "lbl" : "cysteinate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "cysteinate(1-)", "xrefs" : [ "JCBN" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen cysteinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-mercaptopropanoate", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-sulfanylpropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "cys(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "cysteine monoanion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:4128885" }, { "val" : "Gmelin:363235" }, { "val" : "Reaxys:4128885" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "120.15128" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "120.01247" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CS)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32457", "lbl" : "cysteinate(2-)", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "cysteinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "cysteinate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-sulfidopropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "cysteine dianion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:49990" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H5NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UHFFFAOYSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "119.14334" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "119.00520" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(C[S-])C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32458", "lbl" : "cysteinium", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "1-carboxy-2-sulfanylethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "cysteinium", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxy-2-mercaptoethanaminium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2cys(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "cysteine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:325859" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "XUJNEKJLAYXESH-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "122.16716" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "122.02703" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]C(CS)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32504", "lbl" : "phenylalaninate", "type" : "CLASS", "meta" : { "definition" : { "val" : "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "phenylalaninate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-phenylpropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "phenylalanine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:329083" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H10NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "COLNVLDHVKWLRT-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "164.18120" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "164.07170" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(Cc1ccccc1)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32505", "lbl" : "phenylalaninium", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "phenylalaninium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxy-2-phenylethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "phenylalanine cation", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H12NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "COLNVLDHVKWLRT-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "166.19710" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "166.08626" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]C(Cc1ccccc1)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32507", "lbl" : "glycinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glycinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2gly(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "NH3(+)-CH2-COOH", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "carboxymethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:323509" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H6NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "DHMQDGOQFOQNFH-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "76.07458" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "76.03930" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]CC(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32508", "lbl" : "glycinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "glycinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2N-CH2-COO(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "aminoacetate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "gly(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "glycine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:1852023" }, { "val" : "Gmelin:81890" }, { "val" : "Reaxys:1852023" }, { "val" : "UM-BBD_compID:c0559" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C2H4NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "DHMQDGOQFOQNFH-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "74.05870" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "74.02475" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCC([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32544", "lbl" : "nicotinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "pred" : "hasExactSynonym", "val" : "nicotinate", "xrefs" : [ "UniProt" ] }, { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "pyridine-3-carboxylate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "3-pyridinecarboxylate", "xrefs" : [ "ChEBI" ] } ], "xrefs" : [ { "val" : "Beilstein:3539722" }, { "val" : "Gmelin:327384" }, { "val" : "MetaCyc:NIACINE" }, { "val" : "PMID:17190852" }, { "val" : "PMID:21742010" }, { "val" : "PMID:21953179" }, { "val" : "Reaxys:3539722" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H4NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "PVNIIMVLHYAWGP-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "122.10150" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "122.02475" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[O-]C(=O)c1cccnc1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:14650" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:22851" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:25530" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32563", "lbl" : "lysinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lysinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,6-diaminohexanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "lys(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "lysinate(1-)", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "lysine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:815095" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H13N2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KDXKERNSBIXSRK-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "145.17970" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "145.09825" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NCCCCC(N)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32564", "lbl" : "lysinium(1+)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lysinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "lysinium(1+)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,6-diammoniohexanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "lysine monocation", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H15N2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KDXKERNSBIXSRK-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "147.19558" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "147.11280" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]CCCCC([NH3+])C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32565", "lbl" : "lysinium(2+)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation obtained by protonation of both amino groups of lysine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "lysinediium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "lysinium(2+)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxypentane-1,5-diaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "lysine dication", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H16N2O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "KDXKERNSBIXSRK-UHFFFAOYSA-P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "148.20352" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "148.12008" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]CCCCC([NH3+])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32600", "lbl" : "tetracene", "type" : "CLASS", "meta" : { "definition" : { "val" : "An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tetracene", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2,3-benzanthracene", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "benz[b]anthracene", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "naphthacene", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Beilstein:1909299" }, { "val" : "CAS:92-24-0" }, { "val" : "CAS:92-24-0" }, { "val" : "Gmelin:306993" }, { "val" : "PMID:11493061" }, { "val" : "PMID:24655187" }, { "val" : "Reaxys:1909299" }, { "val" : "Wikipedia:Tetracene" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C18H12" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "IFLREYGFSNHWGE-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "228.28788" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "228.09390" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "c1ccc2cc3cc4ccccc4cc3cc2c1" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32612", "lbl" : "isoleucinate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isoleucinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "ile(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "isoleucine anion", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "rel-(2R,3R)-2-amino-3-methylpentanoate", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Gmelin:101585" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32613", "lbl" : "isoleucinium", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "isoleucinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2ile(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "isoleucine cation", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium", "xrefs" : [ "IUPAC" ] } ], "xrefs" : [ { "val" : "Gmelin:1651827" } ], "basicPropertyValues" : [ { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32627", "lbl" : "leucinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "leucinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-4-methylpentanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "leu(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "leucine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Reaxys:5245805" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H12NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ROHFNLRQFUQHCH-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "130.16502" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "130.08735" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)CC(N)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32628", "lbl" : "leucinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "leucinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxy-3-methylbutan-1-aminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2leu(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "leucine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:1651836" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H14NO2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ROHFNLRQFUQHCH-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "132.18090" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "132.10191" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(C)CC([NH3+])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32631", "lbl" : "L-methioninate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of methioninate." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-methioninate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-4-(methylsulfanyl)butanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-methionine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:4740675" }, { "val" : "Gmelin:326566" }, { "val" : "Reaxys:4740675" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H10NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-BYPYZUCNSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "148.20444" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "148.04377" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCC[C@H](N)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32632", "lbl" : "L-methioninium", "type" : "CLASS", "meta" : { "definition" : { "val" : "The L-enantiomer of methioninium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-methioninium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1S)-1-carboxy-3-(methylsulfanyl)propan-1-aminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-methionine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:1568767" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H12NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-BYPYZUCNSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "150.22032" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "150.05833" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCC[C@H]([NH3+])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32637", "lbl" : "D-methioninate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of methioninate." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-methioninate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-4-(methylsulfanyl)butanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-methionine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:720123" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H10NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-SCSAIBSYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "148.20444" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "148.04377" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCC[C@@H](N)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32638", "lbl" : "D-methioninium", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of methioninium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-methioninium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1R)-1-carboxy-3-(methylsulfanyl)propan-1-aminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-methionine cation", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H12NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-SCSAIBSYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "150.22032" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "150.05833" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCC[C@@H]([NH3+])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32644", "lbl" : "methioninate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "methioninate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-4-(methylsulfanyl)butanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "met(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "methionine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:3937270" }, { "val" : "Gmelin:326565" }, { "val" : "Reaxys:3937270" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H10NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "148.20444" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "148.04377" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCCC(N)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32646", "lbl" : "methioninium", "type" : "CLASS", "meta" : { "definition" : { "val" : "A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "methioninium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxy-3-(methylsulfanyl)propan-1-aminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2met(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "methionine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:326567" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C5H12NO2S" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "FFEARJCKVFRZRR-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "150.22032" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "150.05833" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CSCCC([NH3+])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32695", "lbl" : "argininate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "argininate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-5-(carbamimidamido)pentanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-5-guanidinopentanoate", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "arg(-)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "arginine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:603497" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H13N4O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ODKSFYDXXFIFQN-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "173.19318" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "173.10440" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CCCNC(N)=N)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32696", "lbl" : "argininium(1+)", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "argininium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "argininium(1+)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-ammonio-5-guanidiniopentanoate", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "H2arg(+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "arginine", "xrefs" : [ "UniProt" ] }, { "pred" : "hasRelatedSynonym", "val" : "arginine monocation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:1345599" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H15N4O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ODKSFYDXXFIFQN-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "175.20906" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "175.11895" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(=[NH2+])NCCCC([NH3+])C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32697", "lbl" : "argininium(2+)", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "argininediium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "argininium(2+)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1-carboxy-4-guanidiniobutyl)ammonium", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "H3arg(2+)", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "arginine dication", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C6H16N4O2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "ODKSFYDXXFIFQN-UHFFFAOYSA-P" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "176.21700" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "176.12623" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(=[NH2+])NCCCC([NH3+])C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32784", "lbl" : "tyrosinate(1-)", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "hydrogen tyrosinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "tyrosinate(1-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-(4-hydroxyphenyl)propanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "tyrosine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:3548387" }, { "val" : "Beilstein:4139515" }, { "val" : "Gmelin:329372" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H10NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OUYCCCASQSFEME-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "180.18064" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "180.06662" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(Cc1ccc(O)cc1)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32785", "lbl" : "tyrosinate(2-)", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tyrosinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "tyrosinate(2-)", "xrefs" : [ "JCBN" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-(4-oxidophenyl)propanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "tyrosine dianion", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-2" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H9NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OUYCCCASQSFEME-UHFFFAOYSA-L" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "179.17270" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "179.05934" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(Cc1ccc([O-])cc1)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32786", "lbl" : "tyrosinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "tyrosinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxy-2-(4-hydroxyphenyl)ethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "tyrosine cation", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C9H12NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "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" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "OUYCCCASQSFEME-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "182.19652" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "182.08117" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]C(Cc1ccc(O)cc1)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32816", "lbl" : "pyruvic acid", "type" : "CLASS", "meta" : { "definition" : { "val" : "A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "2-oxopropanoic acid", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasExactSynonym", "val" : "PYRUVIC ACID", "xrefs" : [ "PDBeChem" ] }, { "pred" : "hasExactSynonym", "val" : "Pyruvic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasExactSynonym", "val" : "pyruvic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Oxopropanoic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Oxopropansaeure", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-Oxopropionsaeure", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-ketopropionic acid", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-oxopropanoic acid", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "Acetylformic acid", "xrefs" : [ "HMDB" ] }, { "pred" : "hasRelatedSynonym", "val" : "BTS", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "Brenztraubensaeure", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "CH3COCOOH", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "Pyroracemic acid", "xrefs" : [ "KEGG_COMPOUND" ] }, { "pred" : "hasRelatedSynonym", "val" : "acetylformic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] }, { "pred" : "hasRelatedSynonym", "val" : "acide pyruvique", "xrefs" : [ "ChEBI" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-Oxopropionsaeure", "xrefs" : [ "ChemIDplus" ] }, { "pred" : "hasRelatedSynonym", "val" : "alpha-ketopropionic acid", "xrefs" : [ "NIST_Chemistry_WebBook" ] } ], "xrefs" : [ { "val" : "Beilstein:506211" }, { "val" : "CAS:127-17-3" }, { "val" : "CAS:127-17-3" }, { "val" : "DrugBank:DB00119" }, { "val" : "ECMDB:ECMDB00243" }, { "val" : "Gmelin:101087" }, { "val" : "HMDB:HMDB0000243" }, { "val" : "KEGG:C00022" }, { "val" : "KNApSAcK:C00001200" }, { "val" : "LIPID_MAPS_instance:LMFA01060077" }, { "val" : "MetaCyc:PYRUVATE" }, { "val" : "PDBeChem:PYR" }, { "val" : "PMID:11762589" }, { "val" : "PMID:19260671" }, { "val" : "PMID:22150460" }, { "val" : "PMID:22233273" }, { "val" : "PMID:22735334" }, { "val" : "PMID:22770225" }, { "val" : "Reaxys:506211" }, { "val" : "Wikipedia:Pyruvic_acid" }, { "val" : "YMDB:YMDB00175" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "0" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H4O3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "LCTONWCANYUPML-UHFFFAOYSA-N" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "88.06206" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "88.01604" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "CC(=O)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:26466" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:45253" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasAlternativeId", "val" : "CHEBI:8685" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32836", "lbl" : "L-serinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-serinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2S)-2-amino-3-hydroxypropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-serine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Beilstein:4372751" }, { "val" : "Gmelin:324693" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-REOHCLBHSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "104.08468" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "104.03532" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@@H](CO)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32837", "lbl" : "L-serinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "L-serinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1S)-1-carboxy-2-hydroxyethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "L-serine cation", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-REOHCLBHSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "106.10056" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "106.04987" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+][C@@H](CO)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32840", "lbl" : "D-serinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of serinate." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-serinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(2R)-2-amino-3-hydroxypropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-serine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:745975" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-UWTATZPHSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "104.08468" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "104.03532" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "N[C@H](CO)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32841", "lbl" : "D-serinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "The D-enantiomer of serinium." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "D-serinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "(1R)-1-carboxy-2-hydroxyethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "D-serine cation", "xrefs" : [ "JCBN" ] } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m1/s1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-UWTATZPHSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "106.10056" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "106.04987" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+][C@H](CO)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32845", "lbl" : "serinate", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid anion that is the conjugate base of serine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "serinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "2-amino-3-hydroxypropanoate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "serine anion", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:324692" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H6NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-UHFFFAOYSA-M" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "104.08468" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "104.03532" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "NC(CO)C([O-])=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32846", "lbl" : "serinium", "type" : "CLASS", "meta" : { "definition" : { "val" : "An alpha-amino-acid cation that is the conjugate acid of serine." }, "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "serinium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "1-carboxy-2-hydroxyethanaminium", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedSynonym", "val" : "serine cation", "xrefs" : [ "JCBN" ] } ], "xrefs" : [ { "val" : "Gmelin:1925675" } ], "basicPropertyValues" : [ { "pred" : "http://purl.obolibrary.org/obo/chebi/charge", "val" : "+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/formula", "val" : "C3H8NO3" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchi", "val" : "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/inchikey", "val" : "MTCFGRXMJLQNBG-UHFFFAOYSA-O" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/mass", "val" : "106.10056" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/monoisotopicmass", "val" : "106.04987" }, { "pred" : "http://purl.obolibrary.org/obo/chebi/smiles", "val" : "[NH3+]C(CO)C(O)=O" }, { "pred" : "http://www.geneontology.org/formats/oboInOwl#hasOBONamespace", "val" : "chebi_ontology" } ] } }, { "id" : "http://purl.obolibrary.org/obo/CHEBI_32859", "lbl" : "valinate", "type" : "CLASS", "meta" : { "subsets" : [ "http://purl.obolibrary.org/obo/chebi#3_STAR" ], "synonyms" : [ { "synonymType" : "http://purl.obolibrary.org/obo/chebi#IUPAC_NAME", "pred" : "hasExactSynonym", "val" : "valinate", "xrefs" : [ "IUPAC" ] }, { "pred" : "hasRelatedS