LBF18203EO01: Difference between revisions

Revision as of 00:00, 12 December 2008

Upper classes: LB LBF

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer

Structural Information
	Methyl-9,10-Epoxy-12,15-Octadecadienoate


Formula	C19H32O3
Exact Mass	308.23514489
Average Mass	308.45558
SMILES	`C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1`
Physicochemical Information












Spectral Information
Mass Spectra
UV Spectra
IR Spectra	Cis unsaturation: 3002cm^-¹ Neff_WE et al.
NMR Spectra	GC-EI-MS Neff_WE et al.: m/e=308[M]; 277[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 151[M-(CH2)7COOCH3]; 123[151-28]; GC-EI-MS(after hydrogenation) Neff_WE et al.: m/e=281[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 155[M-(CH2)7COOCH3]127[155-28]
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF18203EO01	See above.	Neff_WE et al. 1982

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01070012
 |SysName=Methyl-9,10-Epoxy-12,15-Octadecadienoate
-|IR Spectra=Cis unsaturation: 3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP><<8081>>
+|IR Spectra=Cis unsaturation: 3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439}}]]
-|NMR Spectra=GC-EI-MS<<8084>>: m/e=308[M]; 277[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 151[M-(CH2)7COOCH3]; 123[151-28]; GC-EI-MS(after hydrogenation)<<8084>>: m/e=281[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 155[M-(CH2)7COOCH3]127[155-28]
+|NMR Spectra=GC-EI-MS[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]: m/e=308[M]; 277[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 151[M-(CH2)7COOCH3]; 123[151-28]; GC-EI-MS(after hydrogenation)[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]: m/e=281[M-OCH3]; 199[CH-(O)-CH(CH2)7COOCH3]; 171[199-28]; 155[M-(CH2)7COOCH3]127[155-28]
 }}