LBF18206HP03: Difference between revisions
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|LipidMaps=LMFA01040007 | |LipidMaps=LMFA01040007 | ||
|SysName=12-Hydroperoxy-9,13-Octadecadienoic Acid/12-Hydroperoxy-9,13-Octadecadienoate | |SysName=12-Hydroperoxy-9,13-Octadecadienoic Acid/12-Hydroperoxy-9,13-Octadecadienoate | ||
|Mass Spectra=GC-EI-MS(after methanolysis, reduction and trimethylsilylation) | |Mass Spectra=GC-EI-MS(after methanolysis, reduction and trimethylsilylation)[[Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234|{{RelationTable/GetFirstAuthor|Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234}}]][[Reference:Frankel_EN:Neff_WE:Bessler_TR:,Lipids,1979,14,961|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Bessler_TR:,Lipids,1979,14,961}}]]: m/e= 185[SMTO=CH-CH=CH-(CH2)3CH3], GC-EI-MS (after methylation, reduction and hydrogenation)[[Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100}}]]: m/e= 229[CH(OH)(CH2)10COOCH3], 200[(CH2)10COOCH3+H], 197[C(OH)(CH2)10CO] GC-EI-MS(after methylation, reduction, hydrogenation and trimethylsilylation)[[Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234|{{RelationTable/GetFirstAuthor|Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234}}]] | ||
|IR Spectra=After methanolyzation and reduction | |IR Spectra=After methanolyzation and reduction[[Reference:Thomas_MJ:Pryor_WA:,Lipids,1980,15,544|{{RelationTable/GetFirstAuthor|Reference:Thomas_MJ:Pryor_WA:,Lipids,1980,15,544}}]][[Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234|{{RelationTable/GetFirstAuthor|Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234}}]]: isolated double bond (3013-3010, 972-971cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(after methanolyzation and reduction) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(after methanolyzation and reduction)[[Reference:Thomas_MJ:Pryor_WA:,Lipids,1980,15,544|{{RelationTable/GetFirstAuthor|Reference:Thomas_MJ:Pryor_WA:,Lipids,1980,15,544}}]]: olefinic protons(5.55-5.59ppm), C10 (4.08-4.11ppm) | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8004 |
| LipidMaps | LMFA01040007 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18206HP03 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| 12-Hydroperoxy-9,13-Octadecadienoic Acid/12-Hydroperoxy-9,13-Octadecadienoate | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCC=CC(OO)CC=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis, reduction and trimethylsilylation) TeraoJet al. Frankel_EN et al.: m/e= 185[SMTO=CH-CH=CH-(CH2)3CH3], GC-EI-MS (after methylation, reduction and hydrogenation) Chan_HWS : m/e= 229[CH(OH)(CH2)10COOCH3], 200[(CH2)10COOCH3+H], 197[C(OH)(CH2)10CO] GC-EI-MS(after methylation, reduction, hydrogenation and trimethylsilylation) TeraoJet al. |
| UV Spectra | |
| IR Spectra | After methanolyzation and reduction Thomas_MJ et al. TeraoJet al.: isolated double bond (3013-3010, 972-971cm-1) |
| NMR Spectra | 1H-NMR(after methanolyzation and reduction) Thomas_MJ et al.: olefinic protons(5.55-5.59ppm), C10 (4.08-4.11ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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