Metabolomics Structure Database

 
MW REGNO: 1284
Common Name:DL-2-hydroxy valeric acid
Systematic Name:2-hydroxy-pentanoic acid
RefMet Name:2-Hydroxyvaleric acid
Synonyms: [PubChem Synonyms]
Exact Mass:
118.0630 (neutral)    Calculate m/z:
Formula:C5H10O3
InChIKey:JRHWHSJDIILJAT-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Hydroxy fatty acids [FA0105]
Massbank MS spectra:View MS spectra
SMILES:CCCC(C(=O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:98009
LIPID MAPS ID:LMFA01050007
CHEBI ID:60647
HMDB ID:HMDB0001863
Chemspider ID:88482
MetaCyc ID:CPD-16713
Plant Metabolite Hub(Pmhub):MS000000133

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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