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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H5O7 Net Charge -3 Average Mass 189.09970 Monoisotopic Mass 189.00517 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 Synonym Source 1-hydroxytricarballylate ChEBI Manual Xrefs Databases C00311 KEGG COMPOUND HMDB0000193 HMDB Isocitrate MetaCyc View more database links Registry Numbers Types Sources 329802 Gmelin Registry Number Gmelin 3971277 Reaxys Registry Number Reaxys Last Modified 04 June 2020

General Comment 2004-09-01 The isomer generally involved in enzymic reactions has stereochemistry (1R,2S). See CHEBI:15562.