cis-homoaconitate

<i>cis</i>-homoaconitate




Chemical Formula:
C7H5O6
Molecular Weight:
185.113 Daltons
Monoisotopic Mass:
188.0320879894 Daltons
SMILES:
C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]
InChI:
1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3-
InChIKey:
BJYPZFUWWJSAKC-ARJAWSKDSA-K

Synonyms
  • 3-carboxyhex-2-enedioate
  • (Z)-but-1-ene-1,2,4-tricarboxylate
  • homo-cis-aconitate
  • (Z)-1,2,4-but-1-enetricarboxylic acid

Databases
MetaCyc:  HOMO-CIS-ACONITATE
ChemSpider:  20117984
ChEBI:  58174
PubChem (CID):  21158450
KEGG:  C04002
HMDB:  HMDB60320
MetaNetX:  MNXM920