(E)-3-(methoxycarbonyl)pent-2-enedioate

(E)-3-(methoxycarbonyl)pent-2-enedioate




Chemical Formula:
C7H6O6
Molecular Weight:
186.121 Daltons
Monoisotopic Mass:
188.0320879894 Daltons
SMILES:
COC(=O)C(CC(=O)[O-])=CC(=O)[O-]
InChI:
1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/p-2/b4-2+
InChIKey:
BRYKYSQCLNCYQW-DUXPYHPUSA-L

Synonyms
  • E-3-carboxy-2-pentenedioate 6-methyl ester
  • monomethyl-ester-of-trans-aconitate

Databases
MetaCyc:  MONOMETHYL-ESTER-OF-TRANS-ACONITATE
BiGG:  aconm
ChemSpider:  19951451
ChEBI:  57470
PubChem (CID):  23615417
KEGG:  C11514
Seed:  cpd08353
MetaNetX:  MNXM3742