| Properties | Image |
|---|
| MNX_ID | MNXM217770 |
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| reference | slm:000031420 |
| formula | C49H88NO8P |
| global charge | 0 |
| mol weight | 850.216 |
| InChIKey | TYZULYLHGLAWRO-ZEFGMDIHSA-N |
| InChI | InChI=1S/C49H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,23-24,47H,3-10,12,15,19,22,25-46,50H2,1-2H3,(H,53,54)/b13-11-,16-14-,18-17-,21-20-,24-23-/t47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,23-24,47H,3-10,12,15,19,22,25-46,50H2,1-2H3,(H,53,54)/b13-11-,16-14-,18-17-,21-20-,24-23-/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:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:51])[O:55][CH2:45][C@H:47]([CH2:46][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:44][CH2:43][NH2:50])[O:58][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52] |
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