ID C0120  
Compound name Isocitric acid
Stereochemistry -
Aracyc name Isocitrate
External link   http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=THREO-DS-ISO-CITRATE
Mass information 1st experiment  :  
2nd experiment  :  CE-TOF/MS (Anion analysis)
Molecular Formula H5O7C6
Canonical SMILES C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
Molecular Weight 192.125
Pathway Information TCA cycle variation V (plant),
TCA cycle variation III (eukaryotic),
glutamine biosynthesis III,
glyoxylate cycle
CAS ID 30810-51-6, 320-77-4
Synonym isocitrate; D-threo-isocitric acid; (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate; isocitric acid; D-isocitrate; threo-DSUBs-isocitrate; I-CIT
External ID LIGAND-CPD:C00451, KNAPSACK:C00001188, KEGG:C00311, PUBCHEM:5318532, CHEBI:151