LBF16401SC02
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA0205 | |LipidBank=DFA0205 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA0205 |
| LipidMaps | LMFA01030166 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF16401SC02.mol |
| |
| Structural Information | |
| Systematic Name | 6, 9, 12, 15-Hexadesatetraenoic acid |
| Common Name | |
| Symbol | |
| Formula | C16H24O2 |
| Exact Mass | 248.17763001199998 |
| Average Mass | 248.36056 |
| SMILES | C=CCC=CCC=CCC=CCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | 1.4870 at 29°C |
| Reflactive Index | |
| Solubility | soluble in acetone, alcohol, ether, carbon disuifide and petroleum ether.<<0280>><<0281>><<0508>><<0510>> |
| Spectral Information | |
| Mass Spectra | ""HR-EI-MS(METHYL ESTER): M/Z; 262.19326(M) EI-MS(PYRROLIDIDE): M/Z; 154,166,194,206,260(M-41), 272(M=29), 286(M-15)EI-MS(PICOLINYL ESTER): M/Z; 339(M), 338(M-1), 324(M-15), 298(M-41), 272, 258, 232, 218, 192 ""<<6002>> |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | ""CMR(METHYL ESTER): C12, 127.093; C13, 128.939; C14, 31.529; C15, 136.736 C16: 114.741ppm PMR(METHYL ESTER): CH2=CH-C(TERMINAL OLEFINIC PROTON), 4.92-4.96, 5.62-5.88ppm(MULTIPLETS).""<<6001>> |
| Chromatograms | |
