ID C0051  
Compound name Aconitic acid
Stereochemistry cis-Aconitic acid
Aracyc name cis-Aconitate
External link   http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CIS-ACONITATE
Mass information 1st experiment  :  
2nd experiment  :  GC-TOF/MS, CE-TOF/MS (Anion analysis)
Molecular Formula H3C6O6
Canonical SMILES C(=CC(=O)[O-])(C([O-])=O)CC(=O)[O-]
Molecular Weight 174.11
Pathway Information glutamine biosynthesis III,
TCA cycle variation V (plant),
glyoxylate cycle,
TCA cycle variation III (eukaryotic)
CAS ID 585-84-2
Synonym achilleic acid; equisetic acid; citridinic acid; pyrocitric acid; cis-propene-1,2,3-tricarboxylic acid
External ID LIGAND-CPD:C00417, CHEBI:16383, PUBCHEM:5459816, KNAPSACK:C00001177