CHEBI:16087 - isocitrate(3−)

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ChEBI Name isocitrate(3−)
ChEBI ID CHEBI:16087
ChEBI ASCII Name isocitrate(3-)
Definition Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14465, CHEBI:24884
Supplier Information
Download Molfile XML SDF
Formula C6H5O7
Net Charge -3
Average Mass 189.09970
Monoisotopic Mass 189.004
InChI InChI=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
InChIKey ODBLHEXUDAPZAU-UHFFFAOYSA-K
SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
1-hydroxytricarballylate ChEBI
isocitrate UniProt
Manual Xrefs Databases
C00311 KEGG COMPOUND
HMDB0000193 HMDB
Isocitrate MetaCyc
View more database links
Registry Numbers Types Sources
329802 Gmelin Registry Number Gmelin
3971277 Beilstein Registry Number Beilstein
3971277 Reaxys Registry Number Reaxys
Last Modified
21 January 2016
General Comment
2004-09-01 The isomer generally involved in enzymic reactions has stereochemistry (1R,2S). See CHEBI:15562.