Metabolomics Structure Database

 
MW REGNO: 1966
Common Name:Succinic acid
Systematic Name:Butanedioic acid
RefMet Name:Succinic acid
Synonyms:Succinicate [PubChem Synonyms]
Exact Mass:
118.0266 (neutral)    Calculate m/z:
Formula:C4H6O4
InChIKey:KDYFGRWQOYBRFD-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Dicarboxylic acids [FA0117]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OC(=O)CCC(O)=O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:1110
LIPID MAPS ID:LMFA01170043
CHEBI ID:15741
HMDB ID:HMDB0000254
KEGG ID:C00042
Chemspider ID:1078
METLIN ID:114
BMRB ID:bmse000968
MetaCyc ID:SUC
NP-MRD ID(NMR):NP0000496

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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