trans-aconitate

<i>trans</i>-aconitate




Chemical Formula:
C6H3O6
Molecular Weight:
171.086 Daltons
Monoisotopic Mass:
174.0164379252 Daltons
SMILES:
C([O-])(=O)C=C(C([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-HNQUOIGGSA-K

Synonyms
  • trans-aconitic acid
  • (E)-prop-1-ene-1,2,3-tricarboxylate

Databases
MetaCyc:  CPD-225
RefMet:  Trans-Aconiti Trans-Aconitic acid
BiGG:  acon_T
HMDB:  HMDB00958
ChemSpider:  4451452
PubChem (CID):  5289496
ChEBI:  15708
KEGG:  C02341
CAS:  4023-65-8
Seed:  cpd01563
MetaNetX:  MNXM1388