LBF18106EO02: Difference between revisions

Revision as of 09:39, 19 December 2008

Upper classes: LB LBF

9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid

Structural Information
	9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid
	9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid 9,10-Epoxy-11-Hydroxy-12- Octadecenoate

Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
SMILES	`C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1`
Physicochemical Information












Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Streckert_Get al. Frankel_EN et al. Gardner_HW et al. Sessa_DJ et al. Neff_WE et al.: m/e= 398[M], 383[M-CH3], 241[M-(CH2)7COOCH3], 199[SMTO=CH-CH=CH(CH2)4CH3 or CH(-O-)-CH(CH2)7COOCH3], GC-EI-MS(after methanolysis, reduction and hydrogenation)(078), GC-EI-MS(after aceto-hydrolyzation, methanolysis and trimethylsilylation) Galliard_Tet al. Streckert_Get al.: m/e=361[SMTO
UV Spectra
IR Spectra	Methyl ester Gardner_HW et al. Schieberle_Pet al. Streckert_Get al. Galliard_Tet al. Sessa_DJ et al.: trans olefin(980cm^-¹), trans epoxide(900-890cm^-¹), OH(3620-3300cm^-¹)
NMR Spectra	¹H-NMR Gardner_HW et al.: trans-epoxy-cis-ene: C9(2.98ppm), C10(2.77ppm), C11(4.63ppm), C12(5.32ppm), C13(5.60ppm), C14(2.06ppm), J9-10=2Hz, J10-11=4Hz, J11-12=8Hz J12-13=11Hz / trans-epoxy-trans-ene: C9(2.93ppm), C10(2.77ppm), C11(4.25ppm), C12, 13(5.54ppm), C14(2.06ppm)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF18106EO02	See above.	Frankel_EN et al. 1977
n.a.	LBF18106EO02	See above.	Galliard_T et al. 1975
n.a.	LBF18106EO02	See above.	Gardner_HW et al. 1981
n.a.	LBF18106EO02	See above.	Gardner_HW et al. 1974
n.a.	LBF18106EO02	See above.	Neff_WE et al. 1978
n.a.	LBF18106EO02	See above.	Sessa_DJ et al. 1977
n.a.	LBF18106EO02	See above.	Streckert_G et al. 1975

@@ Line 4: / Line 4: @@
 |LipidBank=DFA8011
 |LipidMaps=LMFA01070003
-|SysName=9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid/9,10-Epoxy-11-Hydroxy-12- Octadecenoate
+|SysName=9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid
-|Common Name=&&9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid/9,10-Epoxy-11-Hydroxy-12- Octadecenoate&&
+|Common Name=&&9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid&&9,10-Epoxy-11-Hydroxy-12- Octadecenoate&&
 |Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908}}]][[Reference:Gardner_HW:Kleiman_R:,Biochim. Biophys. Acta,1981,665,113|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Biochim. Biophys. Acta,1981,665,113}}]][[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}}]][[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]: m/e= 398[M], 383[M-CH3], 241[M-(CH2)7COOCH3], 199[SMTO=CH-CH=CH(CH2)4CH3 or CH(-O-)-CH(CH2)7COOCH3], GC-EI-MS(after methanolysis, reduction and hydrogenation)(078), GC-EI-MS(after aceto-hydrolyzation, methanolysis and trimethylsilylation)[[Reference:Galliard_T:Phillips_DR:Matthew_JA:,Biochim. Biophys. Acta,1975,409,157|{{RelationTable/GetFirstAuthor|Reference:Galliard_T:Phillips_DR:Matthew_JA:,Biochim. Biophys. Acta,1975,409,157}}]][[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]]: m/e=361[SMTO
 |IR Spectra=Methyl ester[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192}}]][[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Galliard_T:Phillips_DR:Matthew_JA:,Biochim. Biophys. Acta,1975,409,157|{{RelationTable/GetFirstAuthor|Reference:Galliard_T:Phillips_DR:Matthew_JA:,Biochim. Biophys. Acta,1975,409,157}}]][[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}}]]: trans olefin(980cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans epoxide(900-890cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3620-3300cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)
 |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]]: trans-epoxy-cis-ene: C9(2.98ppm), C10(2.77ppm), C11(4.63ppm), C12(5.32ppm), C13(5.60ppm), C14(2.06ppm), J9-10=2Hz, J10-11=4Hz, J11-12=8Hz J12-13=11Hz / trans-epoxy-trans-ene: C9(2.93ppm), C10(2.77ppm), C11(4.25ppm), C12, 13(5.54ppm), C14(2.06ppm)
 }}

IDs and Links
LipidBank	DFA8011
LipidMaps	LMFA01070003
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}

mol	LBF18106EO02

LBF18106EO02: Difference between revisions

Revision as of 09:39, 19 December 2008

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