| Properties | Image |
|---|
| MNX_ID | MNXM345620 |
 |
| reference | slm:000019177 |
| formula | C21H38O13P |
| global charge | -1 |
| mol weight | 529.496 |
| InChIKey | VYOLJMBUMOWCJN-PSZFZNCLSA-M |
| InChI | InChI=1S/C21H39O13P/c1-3-4-5-6-7-8-9-10-15(23)31-11-14(33-13(2)22)12-32-35(29,30)34-21-19(27)17(25)16(24)18(26)20(21)28/h14,16-21,24-28H,3-12H2,1-2H3,(H,29,30)/p-1/t14-,16-,17-,18+,19-,20-,21-/m1/s1 |
| SMILES | CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C21H39O13P/c1-3-4-5-6-7-8-9-10-15(23)31-11-14(33-13(2)22)12-32-35(29,30)34-21-19(27)17(25)16(24)18(26)20(21)28/h14,16-21,24-28H,3-12H2,1-2H3,(H,29,30)/t14-,16-,17-,18+,19-,20-,21-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:15](=[O:23])[O:31][CH2:11][C@H:14]([CH2:12][O:32][P:35]([OH:29])(=[O:30])[O:34][C@@H:21]1[C@H:19]([OH:27])[C@H:17]([OH:25])[C@@H:16]([OH:24])[C@H:18]([OH:26])[C@H:20]1[OH:28])[O:33][C:13]([CH3:2])=[O:22] |
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