| Properties | Image |
|---|
| MNX_ID | MNXM220067 |
 |
| reference | slm:000472202 |
| formula | C52H87O13P2 |
| global charge | -3 |
| mol weight | 982.203 |
| InChIKey | VMTFWRKUJCKDJD-WHFPJWKISA-K |
| InChI | InChI=1S/C52H90O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-52(55)65-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)47-61-51(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,28,30,49-50,53H,3-4,6,8-10,15-16,21-22,25-27,29,31-48H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,30-28-/t49-,50+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C52H90O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-52(55)65-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)47-61-51(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,28,30,49-50,53H,3-4,6,8-10,15-16,21-22,25-27,29,31-48H2,1-2H3,(H,59,60)(H2,56,57,58)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,30-28-/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]\[CH2:21]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:52](=[O:55])[O:65][C@H:50]([CH2:47][O:61][C:51]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[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] |
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