| Properties | Image |
|---|
| MNX_ID | MNXM357485 |
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| reference | slm:000469739 |
| formula | C52H88O19P3 |
| global charge | -5 |
| mol weight | 1110.179 |
| InChIKey | MQPWEHNABGXSTP-AQAAAAKGSA-I |
| InChI | InChI=1S/C52H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)68-44(42-66-45(53)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-67-74(64,65)71-50-47(55)48(56)51(69-72(58,59)60)52(49(50)57)70-73(61,62)63/h11,13,17,19,23,25,29,31,35,37,44,47-52,55-57H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/p-5/b13-11-,19-17-,25-23-,31-29-,37-35-/t44-,47-,48+,49+,50-,51-,52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C52H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)68-44(42-66-45(53)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-67-74(64,65)71-50-47(55)48(56)51(69-72(58,59)60)52(49(50)57)70-73(61,62)63/h11,13,17,19,23,25,29,31,35,37,44,47-52,55-57H,3-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b13-11-,19-17-,25-23-,31-29-,37-35-/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:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][C:46](=[O:54])[O:68][C@H:44]([CH2:42][O:66][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53])[CH2:43][O:67][P:74]([OH:64])(=[O:65])[O:71][C@@H:50]1[C@H:47]([OH:55])[C@H:48]([OH:56])[C@@H:51]([O:69][P:72]([OH:58])([OH:59])=[O:60])[C@H:52]([O:70][P:73]([OH:61])([OH:62])=[O:63])[C@H:49]1[OH:57] |
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