Metabolomics Structure Database

 
MW REGNO: 1507
Common Name:2-hydroxy-3-methyl-butyric acid
Systematic Name:2S-hydroxy-3-methyl-butanoic acid
RefMet Name:2-Hydroxy-3-methylbutyric acid
Synonyms: [PubChem Synonyms]
Exact Mass:
118.0630 (neutral)    Calculate m/z:
Formula:C5H10O3
InChIKey:NGEWQZIDQIYUNV-BYPYZUCNSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Hydroxy fatty acids [FA0105]
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(C)[C@@H](C(=O)O)O
Studies:Available studies (via RefMet name)

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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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