| Properties | Image |
|---|
| MNX_ID | MNXM336167 |
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| reference | slm:000034783 |
| formula | C49H88NO8P |
| global charge | 0 |
| mol weight | 850.216 |
| InChIKey | GVYOTTPRCGSOJU-WQHLMZBOSA-N |
| InChI | InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,47H,3-9,14-15,18,21,24-46,50H2,1-2H3,(H,53,54)/b12-10-,13-11-,17-16-,20-19-,23-22-/t47-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H88NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,47H,3-9,14-15,18,21,24-46,50H2,1-2H3,(H,53,54)/b12-10-,13-11-,17-16-,20-19-,23-22-/t47-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:58][C@H:47]([CH2:45][O:55][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:51])[CH2:46][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:44][CH2:43][NH2:50] |
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