LBF20408AM03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR7058 | |LipidBank=XPR7058 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR7058 |
| LipidMaps | LMFA08020044 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20408AM03.mol |
| |
| Structural Information | |
| Systematic Name | (S) - (16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl) -2'-hydroxy-1'-propylamine |
| Common Name | |
| Symbol | |
| Formula | C27H47NO2 |
| Exact Mass | 417.360679753 |
| Average Mass | 417.66762 |
| SMILES | C(C(NCC(C)O)=O)CCC=CCC=CCC=CCC=CC(C)(C)CCCCCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | 1H NMR (CDCl3) d5.99 (br s, 1H, NH), 5.36 (m, 6H, 5,6,8,9,11,12-vinyl-H), 5.18 (m, 2H,14,15-vinyl-H), 3.89 (m, 1H, O-CH), 3.42 (m, 1H, NCH), 3.10 (m, 1H, NCH'), 2.92 (t,2H, J=6.1Hz, 13-CH2), 2.81 (m, 4H, 7,10-CH2), 2.21 (t, 2H, J=7.6Hz, 2-CH2), 2.09 (m, 2H, 4-CH2), 1.71 (p, 2H, J=7.5Hz, 3-CH2), 1.25 (br, m, 10H, 17-21-CH2), 1.18 (d, 3H, J=6.3Hz, O-C-CH3), 1.08 (s, 6H, gem-Me2), 0.87 (m, 3H, 22-CH39) <<7009>> |
| Chromatograms | |
