LBF18107EO02: Difference between revisions
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|LipidMaps=LMFA01070005 | |LipidMaps=LMFA01070005 | ||
|SysName=9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | |SysName=9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | ||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation ) | |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}}]], GC-EIMS(after BF3-MeOH treatment and trimethylsilylation)(075/072): m/e=428[M], 413[M-CH3], 259[SMTO=CH(CH2)7- COOCH3], 242[CH3OCH-CH=CH-C(OTMS)(CH2)4CH3] | ||
|UV Spectra=<FONT FACE="Symbol">l</FONT> ether/max=229-230nm; <FONT FACE="Symbol">e</FONT>=16500 (<FONT FACE="Symbol">a</FONT>,<FONT FACE="Symbol">b</FONT>-unsaturated carbonyl) | |UV Spectra=<FONT FACE="Symbol">l</FONT> ether/max=229-230nm; <FONT FACE="Symbol">e</FONT>=16500 (<FONT FACE="Symbol">a</FONT>,<FONT FACE="Symbol">b</FONT>-unsaturated carbonyl)[[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:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448}}]] | ||
|IR Spectra=Methyl ester: trans monoene(973cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans epoxide(885cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis epoxide(825 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), conjugated carbonyl(1700, 1680, and 1635cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Methyl ester: trans monoene(973cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans epoxide(885cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis epoxide(825 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), conjugated carbonyl(1700, 1680, and 1635cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR | |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}}]]: C9(2.9ppm;trans epoxide), C10(3.20ppm; trans epoxide), C9(3.14ppm; cis-epoxide),C10(3.47ppm; cis epoxide), C11(6.57-6.63ppm), C12(6.34-6.36ppm), C14(2.52ppm), J9-10=2Hz(trans epoxide), J9-10=4Hz(cis epoxide), J11-12=16Hz(trans olefin) | ||
}} | }} |
Revision as of 00:00, 12 December 2008
IDs and Links | |
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LipidBank | DFA8016 |
LipidMaps | LMFA01070005 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18107EO02 |
GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
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Structural Information | |
9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | |
Formula | C18H30O4 |
Exact Mass | 310.21440944799997 |
Average Mass | 310.4284 |
SMILES | C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1 |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation ) Gardner_HW et al., GC-EIMS(after BF3-MeOH treatment and trimethylsilylation)(075/072): m/e=428[M], 413[M-CH3], 259[SMTO=CH(CH2)7- COOCH3], 242[CH3OCH-CH=CH-C(OTMS)(CH2)4CH3] |
UV Spectra | l ether/max=229-230nm; e=16500 (a,b-unsaturated carbonyl) Gardner_HW et al. SchieberlePet al. |
IR Spectra | Methyl ester: trans monoene(973cm-1), trans epoxide(885cm-1), cis epoxide(825 cm-1), conjugated carbonyl(1700, 1680, and 1635cm-1) Gardner_HW et al. |
NMR Spectra | 1H-NMR Gardner_HW et al.: C9(2.9ppm;trans epoxide), C10(3.20ppm; trans epoxide), C9(3.14ppm; cis-epoxide),C10(3.47ppm; cis epoxide), C11(6.57-6.63ppm), C12(6.34-6.36ppm), C14(2.52ppm), J9-10=2Hz(trans epoxide), J9-10=4Hz(cis epoxide), J11-12=16Hz(trans olefin) |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||
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