LBGPCkcp:18000SC01:YS2CA0001:YB2PHb001 2
| IDs and Links | |
|---|---|
| LipidBank | PPA0034 |
| LipidMaps | [1] |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBGPCkcp:18000SC01:YS2CA0001:YB2PHb001 2 |
| E | |
|---|---|
| |
| Structural Information | |
| 1-O-Octadecyl-2-O-acetyl-sn-glyceryl-3-phosphrylcholine | |
| |
| Formula | C28H56NO8P |
| Exact Mass | 565.374354283 |
| Average Mass | 565.719941 |
| SMILES | C(OC(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)(C)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | 3427 (H2O); 1739 (Ester-Carbonyl); 1374 (CH3CO); 1243 (Ester-Phosphoryl); 1092, 1068, 967(P-O); 721 ((CH2)n). <<0015>> |
| NMR Spectra | 1H-NMR (80 MHz): 0.90 (br. t, 3H, (CH2)15CH3); 2.30 ( s, ca 30 H, (CH2)15CH3); 2.06 (s, 3H, COCH3); 2.33(t, J=7, 2H, COCH2(CH2)15CH3); 3.24 (s, 9H, N(CH3)3); ca. 3.90-4.60(m, 6H, 2H-C(l,3) and OCH2CH2N(CH3)3); 5.19(m, 1H, H-C(2)). <<0015>>, |
| Other Spectra | |
| Chromatograms | |
