LBF18109HO04: 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
	12,13-Dihydroxy-9-Octadecenoic Acid


Formula	C18H34O4
Exact Mass	314.24570957599997
Average Mass	314.46016
SMILES	`CCCCCC(O)C(O)CC=CCCCCCCCC(O)=O`
Physicochemical Information












Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Streckert_Get al. Sessa_DJ et al.: m/e=457[M-CH3], 441[M-OCH3], 382[M-HOTMS], 299[M-173], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-( CH2)4CH3],GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) Streckert_Get al.
UV Spectra
IR Spectra	Methyl ester Sessa_DJ et al.
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF18109HO04	See above.	Sessa_DJ et al. 1977
n.a.	LBF18109HO04	See above.	Streckert_G et al. 1975

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01050129
 |SysName=12,13-Dihydroxy-9-Octadecenoic Acid
-|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)<<8059/8071>>: m/e=457[M-CH3], 441[M-OCH3], 382[M-HOTMS], 299[M-173], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-( CH2)4CH3],GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8059>>
+|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613|{{RelationTable/GetFirstAuthor|Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613}}]]: m/e=457[M-CH3], 441[M-OCH3], 382[M-HOTMS], 299[M-173], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-( CH2)4CH3],GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)[[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]]
-|IR Spectra=Methyl ester<<8071>>
+|IR Spectra=Methyl ester[[Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613|{{RelationTable/GetFirstAuthor|Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613}}]]
 }}