Metabolomics Structure Database

 
MW REGNO: 1969
Common Name:2-Methylene-4-oxopentanedioic acid
Systematic Name:2-methylene-4-oxo-pentanedioic acid
RefMet Name:2-Methylene-4-oxopentanedioic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
158.0215 (neutral)    Calculate m/z:
Formula:C6H6O5
InChIKey:OARCEFMISOKEKI-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Dicarboxylic acids [FA0117]
SMILES:C=C(CC(=O)C(=O)O)C(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:440813
LIPID MAPS ID:LMFA01170047
CHEBI ID:1898
HMDB ID:HMDB0037759
KEGG ID:C06035
Chemspider ID:389673
Plant Metabolite Hub(Pmhub):MS000018979

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo