Metabolomics Structure Database

 
MW REGNO: 37095
Common Name:Fumaric acid
Systematic Name:(2E)-but-2-enedioic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
116.0110 (neutral)    Calculate m/z:
Formula:C4H4O4
InChIKey:VZCYOOQTPOCHFL-OWOJBTEDSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Dicarboxylic acids and derivatives [C0000346]
ClassyFire direct parent:Dicarboxylic acids and derivatives [C0000346]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:444972
CHEBI ID:18012
HMDB ID:HMDB0000134
KEGG ID:C00122
Chemspider ID:10197150
METLIN ID:3242
BMRB ID:bmse000083
MetaCyc ID:FUM
EPA CompTox DB:DTXCID8028133

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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