| Properties | Image |
|---|
| MNX_ID | MNXM181689 |
 |
| reference | slm:000471032 |
| formula | C51H89O13P2 |
| global charge | -3 |
| mol weight | 972.208 |
| InChIKey | GLCHOMFFMXFNPQ-GBIHFFPNSA-K |
| InChI | InChI=1S/C51H92O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-50(53)60-46-49(47-63-66(58,59)62-45-48(52)44-61-65(55,56)57)64-51(54)43-41-39-37-35-33-30-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,27-28,48-49,52H,3-10,12,14-16,18,20,23,26,29-47H2,1-2H3,(H,58,59)(H2,55,56,57)/p-3/b13-11-,19-17-,22-21-,25-24-,28-27-/t48-,49+/m0/s1 |
| SMILES | CCCCC/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)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H92O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-50(53)60-46-49(47-63-66(58,59)62-45-48(52)44-61-65(55,56)57)64-51(54)43-41-39-37-35-33-30-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24-25,27-28,48-49,52H,3-10,12,14-16,18,20,23,26,29-47H2,1-2H3,(H,58,59)(H2,55,56,57)/b13-11-,19-17-,22-21-,25-24-,28-27-/t48-,49+/m0/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:50](=[O:53])[O:60][CH2:46][C@H:49]([CH2:47][O:63][P:66]([OH:58])(=[O:59])[O:62][CH2:45][C@H:48]([CH2:44][O:61][P:65]([OH:55])([OH:56])=[O:57])[OH:52])[O:64][C:51]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54] |
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