Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:34:10 UTC
Update Date2022-08-12 20:09:04 UTC
Metabolite IDMMDBc0054768
Metabolite Identification
Common Name(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
Description4-Oxalomesaconate, also known as 4-oxalmesaconic acid, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Based on a literature review a significant number of articles have been published on 4-Oxalomesaconate.
Structure
Synonyms
ValueSource
4-Oxalomesaconic acidGenerator
3-Carboxy-5-oxo-2-hexenedioic acidMeSH
4-Oxalmesaconic acidMeSH
Molecular FormulaC7H3O7
Average Mass199.096
Monoisotopic Mass198.989523176
IUPAC Name(1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
Traditional Name(1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
CAS Registry NumberNot Available
SMILES
[H]\C(C([O-])=O)=C(\CC(=O)C([O-])=O)C([O-])=O
InChI Identifier
InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/p-3/b3-2+
InChI KeyODTDYYZJDQGKQT-NSCUHMNNSA-K