cis-2-methylaconitate

<i>cis</i>-2-methylaconitate




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

Synonyms
  • (Z)-but-2-ene-1,2,3-tricarboxylate
  • 2-methyl-cis-aconitate
  • 2-methylaconitate

Databases
MetaCyc:  CPD-1136
BiGG:  2mcacn
MetaboLights:  MTBLC57872
HMDB:  HMDB06357
ChemSpider:  19951219
ChEBI:  57872
PubChem (CID):  23615274
CAS:  99-98-9
KEGG:  C04225
Seed:  cpd02597
MetaNetX:  MNXM1792