Metabolomics Structure Database
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MW REGNO: | 37095 |
Common Name: | Fumaric acid |
Systematic Name: | (2E)-but-2-enedioic acid |
RefMet Name: | Fumaric acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
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] |
Massbank MS spectra: | View MS spectra |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | C(=C\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: | 444972 |
CHEBI ID: | 18012 |
HMDB ID: | HMDB0000134 |
KEGG ID: | C00122 |
Chemspider ID: | 10197150 |
METLIN ID: | 3242 |
BMRB ID: | bmse000083 |
MetaCyc ID: | FUM |
NP-MRD ID(NMR): | NP0000045 |
EPA CompTox DB: | DTXCID8028133 |
Plant Metabolite Hub(Pmhub): | MS000000904 |
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