| Properties | Image |
|---|
| MNX_ID | MNXM218645 |
 |
| reference | slm:000015497 |
| formula | C46H84O13P |
| global charge | -1 |
| mol weight | 876.139 |
| InChIKey | VMWRUZZDDURGAZ-UYDRPJQESA-M |
| InChI | InChI=1S/C46H85O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-33-39(47)56-35-38(58-40(48)34-31-28-25-22-19-20-23-26-29-32-37(2)3)36-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h8-9,11-12,37-38,41-46,49-53H,4-7,10,13-36H2,1-3H3,(H,54,55)/p-1/b9-8-,12-11-/t38-,41-,42-,43+,44-,45-,46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=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(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H85O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-33-39(47)56-35-38(58-40(48)34-31-28-25-22-19-20-23-26-29-32-37(2)3)36-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h8-9,11-12,37-38,41-46,49-53H,4-7,10,13-36H2,1-3H3,(H,54,55)/b9-8-,12-11-/t38-,41-,42-,43+,44-,45-,46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][C:39](=[O:47])[O:56][CH2:35][C@H:38]([CH2:36][O:57][P:60]([OH:54])(=[O:55])[O:59][C@@H:46]1[C@H:44]([OH:52])[C@H:42]([OH:50])[C@@H:41]([OH:49])[C@H:43]([OH:51])[C@H:45]1[OH:53])[O:58][C:40]([CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])=[O:48] |
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