Metabolomics Structure Database

 
MW REGNO: 3797
Common Name:Linoleyl stearate
Systematic Name:9Z,12Z-octadecadienyl octadecanoate
RefMet Name:Linoleyl stearate
Synonyms:WE(18:2(9Z,12Z)/18:0) [PubChem Synonyms]
Exact Mass:
532.5219 (neutral)    Calculate m/z:
Formula:C36H68O2
InChIKey:GYQHSCDMKLFUOQ-OHNCOSGTSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty esters [FA07]
LIPID MAPS subclass:Wax monoesters [FA0701]
SMILES:CCCCC/C=CC/C=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
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