trans-homoaconitate

<I>trans</I>-homoaconitate




Chemical Formula:
C7H5O6
Molecular Weight:
185.113 Daltons
Monoisotopic Mass:
188.0320879894 Daltons
SMILES:
C(=O)([O-])CCC(C(=O)[O-])=CC([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-ONEGZZNKSA-K

Synonyms
  • homo-trans-aconitate
  • (E)-1,2,4-but-1-enetricarboxylic acid

Databases
MetaCyc:  CPD-149
PubChem (CID):  25246311
KEGG:  C16579
Seed:  cpd15886
MetaNetX:  MNXM162779
ChEBI:  80582