Metabolomics Structure Database

 
MW REGNO: 3399
Common Name:4-Methyl-1-pentanol
Systematic Name:4-Methyl-pentan-1-ol
Synonyms: [PubChem Synonyms]
Exact Mass:
102.1045 (neutral)    Calculate m/z:
Formula:C6H14O
InChIKey:PCWGTDULNUVNBN-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty alcohols [FA05]
MoNA MS spectra:View MS spectra
SMILES:CC(C)CCCO
Studies:-

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External database links:

PubChem CID:12296
LIPID MAPS ID:LMFA05000541
CHEBI ID:63910
HMDB ID:HMDB0059889

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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