Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	156941
Common Name:	Glycidyl linoleate
Systematic Name:	Oxiran-2-ylmethyl (9Z,12Z)-octadeca-9,12-dienoate
RefMet Name:	Glycidyl linoleate
Synonyms:	[PubChem Synonyms]
Exact Mass:	336.2664 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C21H36O3
InChIKey:	LOGTZDQTPQYKEN-HZJYTTRNSA-N
ClassyFire superclass:	Lipids and lipid-like molecules
ClassyFire class:	Fatty Acyls [C0003909]
ClassyFire subclass:	Lineolic acids and derivatives [C0000504]
ClassyFire direct parent:	Lineolic acids and derivatives
SMILES:	CCCCC/C=CC/C=CCCCCCCCC(=O)OCC1CO1
Studies:	Available studies (via RefMet name)

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PubChem CID:

23624908

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