| Properties | Image |
|---|
| MNX_ID | MNXM211635 |
 |
| reference | slm:000002196 |
| formula | C52H87NO10P |
| global charge | -1 |
| mol weight | 917.239 |
| InChIKey | VEKMHBIHHPZTQO-MNJLPMFVSA-M |
| InChI | InChI=1S/C52H88NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-50(54)60-45-48(46-61-64(58,59)62-47-49(53)52(56)57)63-51(55)44-42-40-38-36-34-31-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,23-24,26-27,48-49H,3-7,9,12,15,19,22,25,28-47,53H2,1-2H3,(H,56,57)(H,58,59)/p-1/b10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t48-,49+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC/C=C\C/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/C52H88NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-50(54)60-45-48(46-61-64(58,59)62-47-49(53)52(56)57)63-51(55)44-42-40-38-36-34-31-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,23-24,26-27,48-49H,3-7,9,12,15,19,22,25,28-47,53H2,1-2H3,(H,56,57)(H,58,59)/b10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t48-,49+/m1/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:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][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][CH2:31]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:55] |
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