LBF18108HO06: Difference between revisions
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|LipidMaps=LMFA01050137 | |LipidMaps=LMFA01050137 | ||
|SysName=9-Hydroxy-13-Oxo-10-Octadecenoic Acid | |SysName=9-Hydroxy-13-Oxo-10-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}}]][[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:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)[[Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]] | ||
|IR Spectra=Metyl ester: isolated trans olefin(970cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), keto carbonyl(1717cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Metyl ester: isolated trans olefin(970cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), keto carbonyl(1717cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460cm<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}}]][[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}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester, trans ene) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester, trans ene)[[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(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm) | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8040 |
| LipidMaps | LMFA01050137 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18108HO06 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| 9-Hydroxy-13-Oxo-10-Octadecenoic Acid | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(=O)CC=CC(O)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Sessa_DJ et al. Gardner_HW et al.: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) Gardner_HW et al. |
| UV Spectra | |
| IR Spectra | Metyl ester: isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) Gardner_HW et al. Sessa_DJ et al. |
| NMR Spectra | 1H-NMR(methyl ester, trans ene) Gardner_HW et al.: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||
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