| Properties | Image |
|---|
| MNX_ID | MNXM344166 |
 |
| reference | slm:000019093 |
| formula | C29H50O13P |
| global charge | -1 |
| mol weight | 637.68 |
| InChIKey | SQDZLRGTERXYCQ-HTWLBRLLSA-M |
| InChI | InChI=1S/C29H51O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)41-21(19-39-22(30)17-4-2)20-40-43(37,38)42-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,21,24-29,32-36H,3-5,8,11-20H2,1-2H3,(H,37,38)/p-1/b7-6-,10-9-/t21-,24-,25-,26+,27-,28-,29-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H51O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)41-21(19-39-22(30)17-4-2)20-40-43(37,38)42-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,21,24-29,32-36H,3-5,8,11-20H2,1-2H3,(H,37,38)/b7-6-,10-9-/t21-,24-,25-,26+,27-,28-,29-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][C:23](=[O:31])[O:41][C@H:21]([CH2:19][O:39][C:22]([CH2:17][CH2:4][CH3:2])=[O:30])[CH2:20][O:40][P:43]([OH:37])(=[O:38])[O:42][C@@H:29]1[C@H:27]([OH:35])[C@H:25]([OH:33])[C@@H:24]([OH:32])[C@H:26]([OH:34])[C@H:28]1[OH:36] |
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