Metabolomics Structure Database

 
MW REGNO: 37356
Common Name:Glutaric acid
Systematic Name:pentanedioic acid
RefMet Name:Glutaric acid
Synonyms: [PubChem Synonyms]
Exact Mass:
132.0423 (neutral)    Calculate m/z:
Formula:C5H8O4
InChIKey:JFCQEDHGNNZCLN-UHFFFAOYSA-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 MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OC(=O)CCCC(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:743
CHEBI ID:17859
HMDB ID:HMDB0000661
KEGG ID:C00489
Chemspider ID:723
METLIN ID:3254
BMRB ID:bmse000406
MetaCyc ID:GLUTARATE
NP-MRD ID(NMR):NP0000194
EPA CompTox DB:DTXCID401654

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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