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CHEBI:16087 - isocitrate(3−)

ChEBI IDCHEBI:16087
ChEBI Nameisocitrate(3−)
Stars
ASCII Nameisocitrate(3-)
DefinitionPropan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.
Secondary ChEBI IDsCHEBI:14465, CHEBI:24884
Last Modified4 June 2020
DownloadsMolfile
FormulaC6H5O7
Net Charge-3
Average Mass189.099
Monoisotopic Mass189.00517
SMILESO=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-]
InChIInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3
InChIKeyODBLHEXUDAPZAU-UHFFFAOYSA-K
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
isocitrate(3−) (CHEBI:16087) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
isocitrate(3−) (CHEBI:16087) has role human metabolite (CHEBI:77746)
isocitrate(3−) (CHEBI:16087) is a tricarboxylic acid trianion (CHEBI:27092)
isocitrate(3−) (CHEBI:16087) is conjugate base of isocitrate(2−) (CHEBI:36453)
Incoming Relation(s)
D-erythro-isocitrate(3−) (CHEBI:15563) is a isocitrate(3−) (CHEBI:16087)
D-threo-isocitrate(3−) (CHEBI:15562) is a isocitrate(3−) (CHEBI:16087)
L-erythro-isocitrate(3−) (CHEBI:30897) is a isocitrate(3−) (CHEBI:16087)
L-threo-isocitrate(3−) (CHEBI:30896) is a isocitrate(3−) (CHEBI:16087)
isocitrate(2−) (CHEBI:36453) is conjugate acid of isocitrate(3−) (CHEBI:16087)
IUPAC Names 
1-hydroxypropane-1,2,3-tricarboxylate
3-carboxylato-2,3-dideoxypentarate
Synonym  Source
1-hydroxytricarballylateChEBI
Manual XrefsDatabases
C00311KEGG COMPOUND
HMDB0000193HMDB
IsocitrateMetaCyc
Registry NumbersSources
Gmelin:329802Gmelin
Reaxys:3971277Reaxys