| Properties | Image |
|---|
| MNX_ID | MNXM180339 |
 |
| reference | slm:000470940 |
| formula | C52H83O13P2 |
| global charge | -3 |
| mol weight | 978.171 |
| InChIKey | AYDYHTIGKRBYRY-MNJRPDCUSA-K |
| InChI | InChI=1S/C52H86O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-51(54)61-47-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)65-52(55)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-29,49-50,53H,3-4,9-10,15-16,20,23,26,30-48H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,29-18-/t49-,50+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C52H86O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-51(54)61-47-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)65-52(55)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-29,49-50,53H,3-4,9-10,15-16,20,23,26,30-48H2,1-2H3,(H,59,60)(H2,56,57,58)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,29-18-/t49-,50+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30][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]/[CH:29]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:55] |
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