Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:43:22 UTC
Update Date2024-04-30 19:42:36 UTC
Metabolite IDMMDBc0029828
Metabolite Identification
Common NameCis-2-Methylaconitate
Descriptioncis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742 )
Structure
Synonyms
ValueSource
(Z)-But-2-ene-1,2,3-tricarboxylateChEBI
alpha-Methyl-cis-aconitateChEBI
alpha-MethylaconitateChEBI
cis-2-Butene-1,2,3-tricarboxylic acidChEBI
(Z)-But-2-ene-1,2,3-tricarboxylic acidGenerator
a-Methyl-cis-aconitateGenerator
a-Methyl-cis-aconitic acidGenerator
alpha-Methyl-cis-aconitic acidGenerator
Α-methyl-cis-aconitateGenerator
Α-methyl-cis-aconitic acidGenerator
a-MethylaconitateGenerator
a-Methylaconitic acidGenerator
alpha-Methylaconitic acidGenerator
Α-methylaconitateGenerator
Α-methylaconitic acidGenerator
cis-2-Butene-1,2,3-tricarboxylateGenerator
cis-2-Methylaconitic acidGenerator
(2Z)-But-2-ene-1,2,3-tricarboxylic acidHMDB
(Z)-2-Butene-1,2,3-tricarboxylic acidHMDB
Molecular FormulaC7H8O6
Average Mass188.1348
Monoisotopic Mass188.032087988
IUPAC Name(1Z)-1-methylprop-1-ene-1,2,3-tricarboxylic acid
Traditional Nameα-methylaconitate
CAS Registry Number6061-93-4
SMILES
C\C(C(O)=O)=C(/CC(O)=O)C(O)=O
InChI Identifier
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)/b4-3-
InChI KeyNUZLRKBHOBPTQV-ARJAWSKDSA-N