Metabolomics Structure Database

 
MW REGNO: 3220
Common Name:n-octanol
Systematic Name:Octan-1-ol
Synonyms:1-octanol [PubChem Synonyms]
Exact Mass:
130.1358 (neutral)    Calculate m/z:
Formula:C8H18O
InChIKey:KBPLFHHGFOOTCA-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty alcohols [FA05]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:957
LIPID MAPS ID:LMFA05000130
CHEBI ID:16188
HMDB ID:HMDB0001183
KEGG ID:C00756
Chemspider ID:932
METLIN ID:6063
BMRB ID:bmse000980
MetaCyc ID:OCTANOL
Natural Products Atlas ID:NP007602

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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