2-methyl-trans-aconitate

2-methyl-<I>trans</I>-aconitate




Chemical Formula:
C7H5O6
Molecular Weight:
185.113 Daltons
Monoisotopic Mass:
188.0320879894 Daltons
SMILES:
CC(C(=O)[O-])=C(C(=O)[O-])CC(=O)[O-]
InChI:
1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3+
InChIKey:
NUZLRKBHOBPTQV-ONEGZZNKSA-K

Synonyms
  • trans-2-methylaconitate
  • 2-methylaconitate

Databases
MetaCyc:  CPD-9421
ChEBI:  58915
PubChem (CID):  25244861
Seed:  cpd25681
MetaNetX:  MNXM5311
KEGG:  C21250