| Properties | Image |
|---|
| MNX_ID | MNXM218404 |
 |
| reference | slm:000452965 |
| formula | C51H87O16P2 |
| global charge | -3 |
| mol weight | 1018.189 |
| InChIKey | NZNAIDSRWICMBJ-VAHBCONTSA-K |
| InChI | InChI=1S/C51H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(52)63-41-43(42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60)65-45(53)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,43,46-51,54-57H,3-5,7,9-10,15-16,21-42H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-/t43-,46+,47+,48-,49-,50-,51+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(52)63-41-43(42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60)65-45(53)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,43,46-51,54-57H,3-5,7,9-10,15-16,21-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b8-6-,13-11-,14-12-,19-17-,20-18-/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]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:63][CH2:41][C@H:43]([CH2:42][O:64][P:69]([OH:61])(=[O:62])[O:67][C@H:51]1[C@H:48]([OH:56])[C@@H:46]([OH:54])[C@H:47]([OH:55])[C@@H:50]([O:66][P:68]([OH:58])([OH:59])=[O:60])[C@H:49]1[OH:57])[O:65][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:53] |
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