cis-(homo)3aconitate

<I>cis</I>-(homo)<SUB>3</SUB>aconitate




Chemical Formula:
C9H9O6
Molecular Weight:
213.166 Daltons
Monoisotopic Mass:
216.0633881178 Daltons
SMILES:
C(CCCCC(=CC(=O)[O-])C([O-])=O)([O-])=O
InChI:
1S/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b6-5-
InChIKey:
NGULBISQWGMRGK-WAYWQWQTSA-K

Synonyms
  • (Z)-1,2,6-hex-1-enetricarboxylic acid

Databases
MetaCyc:  CPD-319
ChEBI:  72712
PubChem (CID):  25244228
Seed:  cpd15883
MetaNetX:  MNXM5673
KEGG:  C20582