| Properties | Image |
|---|
| MNX_ID | MNXM218018 |
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| reference | slm:000459349 |
| formula | C52H91O16P2 |
| global charge | -3 |
| mol weight | 1034.232 |
| InChIKey | UAZQXLNQWWGCKQ-DXUKJKNOSA-K |
| InChI | InChI=1S/C52H94O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-45(53)64-42-44(66-46(54)41-39-37-35-33-30-16-14-12-10-8-6-4-2)43-65-70(62,63)68-52-49(57)47(55)51(48(56)50(52)58)67-69(59,60)61/h11,13,17-18,20-21,23-24,44,47-52,55-58H,3-10,12,14-16,19,22,25-43H2,1-2H3,(H,62,63)(H2,59,60,61)/p-3/b13-11-,18-17-,21-20-,24-23-/t44-,47-,48+,49-,50-,51+,52+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/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](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H94O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-45(53)64-42-44(66-46(54)41-39-37-35-33-30-16-14-12-10-8-6-4-2)43-65-70(62,63)68-52-49(57)47(55)51(48(56)50(52)58)67-69(59,60)61/h11,13,17-18,20-21,23-24,44,47-52,55-58H,3-10,12,14-16,19,22,25-43H2,1-2H3,(H,62,63)(H2,59,60,61)/b13-11-,18-17-,21-20-,24-23-/t44-,47-,48+,49-,50-,51+,52+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:64][CH2:42][C@H:44]([CH2:43][O:65][P:70]([OH:62])(=[O:63])[O:68][C@H:52]1[C@H:49]([OH:57])[C@@H:47]([OH:55])[C@H:51]([O:67][P:69]([OH:59])([OH:60])=[O:61])[C@@H:48]([OH:56])[C@H:50]1[OH:58])[O:66][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54] |
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