| Properties | Image |
|---|
| MNX_ID | MNXM180637 |
 |
| reference | slm:000445366 |
| formula | C52H86O19P3 |
| global charge | -5 |
| mol weight | 1108.163 |
| InChIKey | NEQDUXAXOPNECO-RWBYQHQWSA-I |
| InChI | InChI=1S/C52H91O19P3/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)66-42-44(68-46(54)41-39-37-35-33-30-16-14-12-10-8-6-4-2)43-67-74(64,65)71-52-48(56)50(69-72(58,59)60)47(55)51(49(52)57)70-73(61,62)63/h5,7,11,13,17-18,20-21,23-24,26-27,44,47-52,55-57H,3-4,6,8-10,12,14-16,19,22,25,28-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/p-5/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-/t44-,47-,48-,49-,50-,51+,52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H91O19P3/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)66-42-44(68-46(54)41-39-37-35-33-30-16-14-12-10-8-6-4-2)43-67-74(64,65)71-52-48(56)50(69-72(58,59)60)47(55)51(49(52)57)70-73(61,62)63/h5,7,11,13,17-18,20-21,23-24,26-27,44,47-52,55-57H,3-4,6,8-10,12,14-16,19,22,25,28-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-/t44-,47-,48-,49-,50-,51+,52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:66][CH2:42][C@H:44]([CH2:43][O:67][P:74]([OH:64])(=[O:65])[O:71][C@@H:52]1[C@H:48]([OH:56])[C@H:50]([O:69][P:72]([OH:58])([OH:59])=[O:60])[C@@H:47]([OH:55])[C@H:51]([O:70][P:73]([OH:61])([OH:62])=[O:63])[C@H:49]1[OH:57])[O:68][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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