Metabolomics Structure Database

 
MW REGNO: 3177
Common Name:Stearyl alcohol
Systematic Name:octadecan-1-ol
RefMet Name:Stearyl alcohol
Synonyms:1-hydroxyoctadecane; 1-octadecanol; Stearylalkohol; n-1-octadecanol; n-octadecanol; n-octadecyl alcohol; octadecanol; stearyl alcohol [PubChem Synonyms]
Exact Mass:
270.2923 (neutral)    Calculate m/z:
Formula:C18H38O
InChIKey:GLDOVTGHNKAZLK-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty alcohols [FA05]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCCCCCCCCCCCCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:8221
LIPID MAPS ID:LMFA05000085
CHEBI ID:32154
HMDB ID:HMDB0002350
KEGG ID:D01924
Chemspider ID:7928
METLIN ID:6640
MetaCyc ID:CPD-7873
NP-MRD ID(NMR):NP0000727
Plant Metabolite Hub(Pmhub):MS000198145

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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