Metabolomics Structure Database

 
MW REGNO: 1394
Common Name:beta-hydroxyhexadecanoic acid
Systematic Name:3-hydroxy-hexadecanoic acid
RefMet Name:3-Hydroxyhexadecanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
272.2351 (neutral)    Calculate m/z:
Formula:C16H32O3
InChIKey:CBWALJHXHCJYTE-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:CCCCCCCCCCCCCC(CC(=O)O)O
Studies:Available studies (via RefMet name)

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Human Pathway links:

REACTOME pathways containing this metabolite

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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