| Properties | Image |
|---|
| MNX_ID | MNXM229789 |
 |
| reference | slm:000453249 |
| formula | C44H79O16P2 |
| global charge | -3 |
| mol weight | 926.048 |
| InChIKey | RJPRMQXKPQPARN-YQOPGJJSSA-K |
| InChI | InChI=1S/C44H82O16P2/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-32-38(46)58-36(33-56-37(45)31-28-25-22-19-17-14-15-18-21-24-27-30-35(2)3)34-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h8-9,11-12,35-36,39-44,47-50H,4-7,10,13-34H2,1-3H3,(H,54,55)(H2,51,52,53)/p-3/b9-8-,12-11-/t36-,39+,40+,41-,42-,43-,44+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C44H82O16P2/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-32-38(46)58-36(33-56-37(45)31-28-25-22-19-17-14-15-18-21-24-27-30-35(2)3)34-57-62(54,55)60-44-41(49)39(47)40(48)43(42(44)50)59-61(51,52)53/h8-9,11-12,35-36,39-44,47-50H,4-7,10,13-34H2,1-3H3,(H,54,55)(H2,51,52,53)/b9-8-,12-11-/t36-,39+,40+,41-,42-,43-,44+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:16][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][C:38](=[O:46])[O:58][C@H:36]([CH2:33][O:56][C:37]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:35]([CH3:2])[CH3:3])=[O:45])[CH2:34][O:57][P:62]([OH:54])(=[O:55])[O:60][C@H:44]1[C@H:41]([OH:49])[C@@H:39]([OH:47])[C@H:40]([OH:48])[C@@H:43]([O:59][P:61]([OH:51])([OH:52])=[O:53])[C@H:42]1[OH:50] |
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