LBF20408AM02
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR7057 | |LipidBank=XPR7057 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR7057 |
| LipidMaps | LMFA08020043 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20408AM02.mol |
| |
| Structural Information | |
| Systematic Name | (R) - (16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl) -1'-hydroxy-2'-propylamine |
| Common Name | |
| Symbol | |
| Formula | C27H47NO2 |
| Exact Mass | 417.360679753 |
| Average Mass | 417.66762 |
| SMILES | C(C=CC(C)(C)CCCCCC)C=CCC=CCC=CCCCC(=O)NC(CO)C |
| 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) d5.73 (br d, 1H, J=6.5Hz, NH), 5.36 (m, 6H, 5,6,8,9,11,12-vinyl-H), 5.21 (m, 2H, 14,15-vinyl-H), 4.04 (m, lH, N-CH), 3.64 (br m, 1H, OCH3), 3.52 (br m, 1H, OCH'), 3.18 (br s, 1H, OH), 2.91 (t, 2H, J=5.9Hz, 13-CH2), 2.79 (m, 4H, 7,10-CH2), 2.18 (t, 2H, J=7.6Hz,2-CH2), 2.08 (m, 2H, 4-CH2), 1.71 (p, 2H, J=7.4 Hz, 3-CH2), 1.27 (m, 10H, 17-21-CH2), 1.15 (d, 3H, J=6.8Hz, N-C-CH3), 1.08 (s, 6H, gem-Me2), 0.86 (m, 3H, 22-CH3) <<7009>> |
| Chromatograms | |
