Metabolomics Structure Database

 
MW REGNO: 1964
Common Name:Malonic acid
Systematic Name:Propanedioic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
104.0110 (neutral)    Calculate m/z:
Formula:C3H4O4
InChIKey:OFOBLEOULBTSOW-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [LMFA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [LMFA01]
LIPID MAPS subclass:Dicarboxylic acids [LMFA0117]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:867
LIPID MAPS ID:LMFA01170041
CHEBI ID:30794
HMDB ID:HMDB0000691
KEGG ID:C00383
Chemspider ID:844
METLIN ID:3237

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

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