| Properties | Image |
|---|
| MNX_ID | MNXM193290 |
 |
| reference | slm:000471291 |
| formula | C52H89O13P2 |
| global charge | -3 |
| mol weight | 984.219 |
| InChIKey | PISLRQDLNRAXLU-GAUTVPCISA-K |
| InChI | InChI=1S/C52H92O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-51(54)61-47-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)65-52(55)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,25-26,49-50,53H,3-4,6,8-10,12,14-16,21,24,27-48H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b7-5-,13-11-,19-17-,20-18-,23-22-,26-25-/t49-,50+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H92O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-51(54)61-47-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)65-52(55)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,25-26,49-50,53H,3-4,6,8-10,12,14-16,21,24,27-48H2,1-2H3,(H,59,60)(H2,56,57,58)/b7-5-,13-11-,19-17-,20-18-,23-22-,26-25-/t49-,50+/m0/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:25]=[CH:26]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:51](=[O:54])[O:61][CH2:47][C@H:50]([CH2:48][O:64][P:67]([OH:59])(=[O:60])[O:63][CH2:46][C@H:49]([CH2:45][O:62][P:66]([OH:56])([OH:57])=[O:58])[OH:53])[O:65][C:52]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
|