LBF18108HO06
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8040 | |LipidBank=DFA8040 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8040 |
| LipidMaps | LMFA01050137 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18108HO06.mol |
| |
| Structural Information | |
| Systematic Name | 9-Hydroxy-13-Oxo-10-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | CCCCCC(=O)CC=CC(O)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8013/8071/8068>>: 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)<<8068>> |
| UV Spectra | |
| IR Spectra | Metyl ester: isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) <<8013/8071>> |
| NMR Spectra | 1H-NMR(methyl ester, trans ene)<<8013>>: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm) |
| Chromatograms | |
