| Properties | Image |
|---|
| MNX_ID | MNXM317988 |
 |
| reference | slm:000018397 |
| formula | C52H92O13P |
| global charge | -1 |
| mol weight | 956.269 |
| InChIKey | PJZUUCCLEFPVCS-MBOYFVCNSA-M |
| InChI | InChI=1S/C52H93O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-28-30-32-34-36-38-40-45(53)62-42-44(43-63-66(60,61)65-52-50(58)48(56)47(55)49(57)51(52)59)64-46(54)41-39-37-35-33-31-29-26-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25,27,44,47-52,55-59H,3-10,12,14-16,18,20-21,24,26,28-43H2,1-2H3,(H,60,61)/p-1/b13-11-,19-17-,23-22-,27-25-/t44-,47-,48-,49+,50-,51-,52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=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)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H93O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-28-30-32-34-36-38-40-45(53)62-42-44(43-63-66(60,61)65-52-50(58)48(56)47(55)49(57)51(52)59)64-46(54)41-39-37-35-33-31-29-26-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,25,27,44,47-52,55-59H,3-10,12,14-16,18,20-21,24,26,28-43H2,1-2H3,(H,60,61)/b13-11-,19-17-,23-22-,27-25-/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:27]\[CH2:28][CH2:30][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][CH2:31][CH2:29][CH2:26][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54] |
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