cis-aconitate

<i>cis</i>-aconitate




Chemical Formula:
C6H3O6
Molecular Weight:
171.086 Daltons
Monoisotopic Mass:
174.0164379252 Daltons
SMILES:
C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
InChI:
1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-
InChIKey:
GTZCVFVGUGFEME-IWQZZHSRSA-K

Synonyms
  • (Z)-prop-1-ene-1,2,3-tricarboxylate
  • cis-aconitic acid

Databases
MetaCyc:  CIS-ACONITATE
RefMet:  Cis-Aconiti Cis-Aconitic acid
BiGG:  acon_C
MetaboLights:  MTBLC16383
HMDB:  HMDB00072
ChemSpider:  4573582
KNApSAcK:  C00001177
PubChem (CID):  5459816
ChEBI:  16383
KEGG:  C00417
CAS:  585-84-2
Seed:  cpd00331
MetaNetX:  MNXM813