| Properties | Image |
|---|
| MNX_ID | MNXM180634 |
 |
| reference | slm:000014293 |
| formula | C52H88O13P |
| global charge | -1 |
| mol weight | 952.237 |
| InChIKey | XXQMYHPLQSPNOG-LZDWVZBLSA-M |
| InChI | InChI=1S/C52H89O13P/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)62-42-44(64-46(54)41-39-37-35-33-30-16-14-12-10-8-6-4-2)43-63-66(60,61)65-52-50(58)48(56)47(55)49(57)51(52)59/h5,7,11,13,17-18,20-21,23-24,26-27,44,47-52,55-59H,3-4,6,8-10,12,14-16,19,22,25,28-43H2,1-2H3,(H,60,61)/p-1/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](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H89O13P/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)62-42-44(64-46(54)41-39-37-35-33-30-16-14-12-10-8-6-4-2)43-63-66(60,61)65-52-50(58)48(56)47(55)49(57)51(52)59/h5,7,11,13,17-18,20-21,23-24,26-27,44,47-52,55-59H,3-4,6,8-10,12,14-16,19,22,25,28-43H2,1-2H3,(H,60,61)/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:62][CH2:42][C@H:44]([CH2:43][O:63][P:66]([OH:60])(=[O:61])[O:65][C@@H:52]1[C@H:50]([OH:58])[C@H:48]([OH:56])[C@@H:47]([OH:55])[C@H:49]([OH:57])[C@H:51]1[OH:59])[O:64][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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