| Properties | Image |
|---|
| MNX_ID | MNXM233418 |
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| reference | slm:000447030 |
| formula | C52H90O19P3 |
| global charge | -5 |
| mol weight | 1112.195 |
| InChIKey | KWVANWFGDOKWCR-ILHZUOBPSA-I |
| InChI | InChI=1S/C52H95O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-45(53)66-42-44(68-46(54)41-39-37-35-32-14-12-10-8-6-4-2)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/h11,13,16-17,19-20,22-23,44,47-52,55-57H,3-10,12,14-15,18,21,24-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/p-5/b13-11-,17-16-,20-19-,23-22-/t44-,47-,48-,49-,50-,51+,52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H95O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-45(53)66-42-44(68-46(54)41-39-37-35-32-14-12-10-8-6-4-2)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/h11,13,16-17,19-20,22-23,44,47-52,55-57H,3-10,12,14-15,18,21,24-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b13-11-,17-16-,20-19-,23-22-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][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][CH2:32][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54] |
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