LBF18109HO05: Difference between revisions
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|LipidMaps=LMFA01050130 | |LipidMaps=LMFA01050130 | ||
|SysName=11,12,13-Trihydroxy-9-Octadecenoic Acid | |SysName=11,12,13-Trihydroxy-9-Octadecenoic Acid | ||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation) | |Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]]: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173] | ||
|IR Spectra=Methyl ester(CS2): cis olefin(758cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), bonded OH(3400-3240cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Methyl ester(CS2): cis olefin(758cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), bonded OH(3400-3240cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm)[[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]] | ||
|NOTE Spectra=ORD analysis | |NOTE Spectra=ORD analysis [[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]] | ||
}} | }} | ||
Revision as of 09:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8028 |
| LipidMaps | LMFA01050130 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18109HO05 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| 11,12,13-Trihydroxy-9-Octadecenoic Acid | |
| Formula | C18H34O5 |
| Exact Mass | 330.240624198 |
| Average Mass | 330.45956 |
| SMILES | CCCCCC(O)C(O)C(O)C=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al.: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173] |
| UV Spectra | |
| IR Spectra | Methyl ester(CS2): cis olefin(758cm-1), bonded OH(3400-3240cm-1) Gardner_HW et al. |
| NMR Spectra | 1H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm) Gardner_HW et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||
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