LBF18108HP01: Difference between revisions
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|LipidMaps=LMFA01040010 | |LipidMaps=LMFA01040010 | ||
|SysName=12,13-Epoxy-9-Hydroperoxy-10-Octadecenoic Acid | |SysName=12,13-Epoxy-9-Hydroperoxy-10-Octadecenoic Acid | ||
|Mass Spectra=GC-EI-MS(after methanolysis, reduction and trimethylsilylation) | |Mass Spectra=GC-EI-MS(after methanolysis, reduction and trimethylsilylation)[[Reference:Gardner_HW:Weisleder_D:Kleiman_R:,Lipids,1978,13,246|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Weisleder_D:Kleiman_R:,Lipids,1978,13,246}}]][[Reference:Tokita_M:Morita_M:,Agric. Biol. Chem.,1987,51,309|{{RelationTable/GetFirstAuthor|Reference:Tokita_M:Morita_M:,Agric. Biol. Chem.,1987,51,309}}]] | ||
|IR Spectra=Isorated trans unsaturation(970cm<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>), OOH(3600 AND 3430cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Isorated trans unsaturation(970cm<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>), OOH(3600 AND 3430cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[Reference:Gardner_HW:Weisleder_D:Kleiman_R:,Lipids,1978,13,246|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Weisleder_D:Kleiman_R:,Lipids,1978,13,246}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester)[[Reference:Gardner_HW:Weisleder_D:Kleiman_R:,Lipids,1978,13,246|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Weisleder_D:Kleiman_R:,Lipids,1978,13,246}}]]: C9(4.33ppm), C10(5.85ppm), C11(5.47ppm), C12(3.11ppm), C13(2.84ppm) J10-11=16Hz(trans olefin), J12-13=2Hz(trans epoxide) | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8009 |
| LipidMaps | LMFA01040010 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18108HP01 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| 12,13-Epoxy-9-Hydroperoxy-10-Octadecenoic Acid | |
| Formula | C18H32O5 |
| Exact Mass | 328.224974134 |
| Average Mass | 328.44368000000003 |
| SMILES | C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1 |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis, reduction and trimethylsilylation) Gardner_HW et al. TokitaMet al. |
| UV Spectra | |
| IR Spectra | Isorated trans unsaturation(970cm-1), trans epoxide(885cm-1), OOH(3600 AND 3430cm-1) Gardner_HW et al. |
| NMR Spectra | 1H-NMR(methyl ester) Gardner_HW et al.: C9(4.33ppm), C10(5.85ppm), C11(5.47ppm), C12(3.11ppm), C13(2.84ppm) J10-11=16Hz(trans olefin), J12-13=2Hz(trans epoxide) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||||||||||||||||||||||
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