LBF18107OX02: Difference between revisions
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|LipidMaps=LMFA01060069 | |LipidMaps=LMFA01060069 | ||
|SysName=13-Hydroxy-10-Oxo-11-Octadecenoic Acid | |SysName=13-Hydroxy-10-Oxo-11-Octadecenoic Acid | ||
|Mass Spectra=GC-EI-MS(after methanolysis and hydrogenation) | |Mass Spectra=GC-EI-MS(after methanolysis and hydrogenation)[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]: m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO] | ||
|UV Spectra=<FONT FACE="Symbol">l</FONT> EtOH /max=226nm(<FONT FACE="Symbol">e</FONT>=9900Å }1100), <FONT FACE="Symbol">l</FONT> EtOH /max=275nm(<FONT FACE="Symbol">e</FONT>260Å }30) | |UV Spectra=<FONT FACE="Symbol">l</FONT> EtOH /max=226nm(<FONT FACE="Symbol">e</FONT>=9900Å }1100), <FONT FACE="Symbol">l</FONT> EtOH /max=275nm(<FONT FACE="Symbol">e</FONT>260Å }30)[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]] | ||
|IR Spectra=Trans unsaturation(973cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), conjugated C=O(1617cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460,1070cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Trans unsaturation(973cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), conjugated C=O(1617cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460,1070cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]: C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm) | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8042 |
| LipidMaps | LMFA01060069 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18107OX02 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| 13-Hydroxy-10-Oxo-11-Octadecenoic Acid | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(O)C=CC(=O)CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and hydrogenation) Gardner_WH : m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO] |
| UV Spectra | l EtOH /max=226nm(e=9900Å }1100), l EtOH /max=275nm(e260Å }30) Gardner_WH |
| IR Spectra | Trans unsaturation(973cm-1), conjugated C=O(1617cm-1), OH(3460,1070cm-1) Gardner_WH |
| NMR Spectra | 1H-NMR Gardner_WH : C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||
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