| Properties | Image |
|---|
| MNX_ID | MNXM200615 |
 |
| reference | slm:000014889 |
| formula | C53H86O13P |
| global charge | -1 |
| mol weight | 962.232 |
| InChIKey | QGARPNJWQJWIKN-VTDQFEDTSA-M |
| InChI | InChI=1S/C53H87O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(55)65-45(44-64-67(61,62)66-53-51(59)49(57)48(56)50(58)52(53)60)43-63-46(54)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,26,28,32,34,45,48-53,56-60H,3-4,6,8-10,15-16,21,24-25,27,29-31,33,35-44H2,1-2H3,(H,61,62)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,34-32-/t45-,48-,49-,50+,51-,52-,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)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/C53H87O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(55)65-45(44-64-67(61,62)66-53-51(59)49(57)48(56)50(58)52(53)60)43-63-46(54)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,26,28,32,34,45,48-53,56-60H,3-4,6,8-10,15-16,21,24-25,27,29-31,33,35-44H2,1-2H3,(H,61,62)/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,34-32-/t45-,48-,49-,50+,51-,52-,53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:65][C@H:45]([CH2:43][O:63][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:44][O:64][P:67]([OH:61])(=[O:62])[O:66][C@@H:53]1[C@H:51]([OH:59])[C@H:49]([OH:57])[C@@H:48]([OH:56])[C@H:50]([OH:58])[C@H:52]1[OH:60] |
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