| Properties | Image |
|---|
| MNX_ID | MNXM193271 |
 |
| reference | slm:000001653 |
| formula | C52H85NO10P |
| global charge | -1 |
| mol weight | 915.223 |
| InChIKey | WDPBDGHVSSPYMF-NZSRFYLYSA-M |
| InChI | InChI=1S/C52H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-50(54)60-45-48(46-61-64(58,59)62-47-49(53)52(56)57)63-51(55)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,48-49H,3-4,9-10,15-16,21,24,27-47,53H2,1-2H3,(H,56,57)(H,58,59)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t48-,49+/m1/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]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C52H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-50(54)60-45-48(46-61-64(58,59)62-47-49(53)52(56)57)63-51(55)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,48-49H,3-4,9-10,15-16,21,24,27-47,53H2,1-2H3,(H,56,57)(H,58,59)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t48-,49+/m1/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: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:50](=[O:54])[O:60][CH2:45][C@H:48]([CH2:46][O:61][P:64]([OH:58])(=[O:59])[O:62][CH2:47][C@@H:49]([C:52](=[O:56])[OH:57])[NH2:53])[O:63][C:51]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:55] |
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