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isocitrate(3−) (CHEBI:16087)

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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
See structure as:  Image  Applet
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Formula Source
C6H5O7 ChEBI
Net Charge -3
Average Mass 189.09970
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 Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 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
Database Links Databases
C00311 KEGG COMPOUND
HMDB00193 HMDB
Isocitrate MetaCyc
View more database links
Registry Numbers Types Sources
329802 Gmelin Registry Number Gmelin
3971277 Reaxys Registry Number Reaxys
3971277 Beilstein Registry Number Beilstein
General Comment
2004-09-01 The isomer generally involved in enzymic reactions has stereochemistry (1R,2S). See CHEBI:15562.
 
Last Modified
13 July 2014

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