Metabolomics Structure Database

 
MW REGNO: 44767
Common Name:xi-2-Ethyl-1-hexanol
Systematic Name:2-ethylhexan-1-ol
RefMet Name:Xi-2-Ethyl-1-hexanol
Synonyms: [PubChem Synonyms]
Exact Mass:
130.1358 (neutral)    Calculate m/z:
Formula:C8H18O
InChIKey:YIWUKEYIRIRTPP-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty alcohols [FA05]
Massbank MS spectra:View MS spectra
SMILES:CCCCC(CC)CO
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo