| Properties | Image |
|---|
| MNX_ID | MNXM296914 |
 |
| reference | slm:000004466 |
| formula | C52H85NO10P |
| global charge | -1 |
| mol weight | 915.223 |
| InChIKey | HFTQJQZLKOHCRU-ICNFQQFMSA-M |
| InChI | InChI=1S/C52H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(55)63-48(46-61-64(58,59)62-47-49(53)52(56)57)45-60-50(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30-31,33,48-49H,3-10,15-16,21-22,26,29,32,34-47,53H2,1-2H3,(H,56,57)(H,58,59)/p-1/b13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,33-31-/t48-,49+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C52H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(55)63-48(46-61-64(58,59)62-47-49(53)52(56)57)45-60-50(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-28,30-31,33,48-49H,3-10,15-16,21-22,26,29,32,34-47,53H2,1-2H3,(H,56,57)(H,58,59)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,33-31-/t48-,49+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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:51](=[O:55])[O:63][C@H:48]([CH2:45][O:60][C:50]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH: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])[CH2:46][O:61][P:64]([OH:58])(=[O:59])[O:62][CH2:47][C@@H:49]([C:52](=[O:56])[OH:57])[NH2:53] |
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