| Properties | Image |
|---|
| MNX_ID | MNXM235751 |
 |
| reference | slm:000016012 |
| formula | C51H92O13P |
| global charge | -1 |
| mol weight | 944.258 |
| InChIKey | BLQRFHVVOOEDTQ-FCSBRUTFSA-M |
| InChI | InChI=1S/C51H93O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(52)61-41-43(42-62-65(59,60)64-51-49(57)47(55)46(54)48(56)50(51)58)63-45(53)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,43,46-51,54-58H,3-11,13,15-16,20-24,26-42H2,1-2H3,(H,59,60)/p-1/b14-12-,19-17-,25-18-/t43-,46-,47-,48+,49-,50-,51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H93O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(52)61-41-43(42-62-65(59,60)64-51-49(57)47(55)46(54)48(56)50(51)58)63-45(53)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,43,46-51,54-58H,3-11,13,15-16,20-24,26-42H2,1-2H3,(H,59,60)/b14-12-,19-17-,25-18-/t43-,46-,47-,48+,49-,50-,51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:61][CH2:41][C@H:43]([CH2:42][O:62][P:65]([OH:59])(=[O:60])[O:64][C@@H:51]1[C@H:49]([OH:57])[C@H:47]([OH:55])[C@@H:46]([OH:54])[C@H:48]([OH:56])[C@H:50]1[OH:58])[O:63][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:25]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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