| Properties | Image |
|---|
| MNX_ID | MNXM291939 |
 |
| reference | slm:000435983 |
| formula | C51H81O16P2 |
| global charge | -3 |
| mol weight | 1012.141 |
| InChIKey | WVRHHAMANMJMIG-RDIGGNRDSA-K |
| InChI | InChI=1S/C51H84O16P2/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/h5-8,11-14,17-20,22,24,27,29,43,46-51,54-57H,3-4,9-10,15-16,21,23,25-26,28,30-42H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-,46-,47-,48-,49-,50+,51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C51H84O16P2/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/h5-8,11-14,17-20,22,24,27,29,43,46-51,54-57H,3-4,9-10,15-16,21,23,25-26,28,30-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,29-27-/t43-,46-,47-,48-,49-,50+,51-/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:24]\[CH2:25]/[CH:27]=[CH: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] |
|