| Properties | Image |
|---|
| MNX_ID | MNXM224276 |
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| reference | slm:000472296 |
| formula | C45H85O13P2 |
| global charge | -3 |
| mol weight | 896.11 |
| InChIKey | BWNBSFQWSWDVOD-MUUUVZOISA-K |
| InChI | InChI=1S/C45H88O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-44(47)54-40-43(41-57-60(52,53)56-39-42(46)38-55-59(49,50)51)58-45(48)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h17,19,42-43,46H,3-16,18,20-41H2,1-2H3,(H,52,53)(H2,49,50,51)/p-3/b19-17-/t42-,43+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H88O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-44(47)54-40-43(41-57-60(52,53)56-39-42(46)38-55-59(49,50)51)58-45(48)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h17,19,42-43,46H,3-16,18,20-41H2,1-2H3,(H,52,53)(H2,49,50,51)/b19-17-/t42-,43+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:44](=[O:47])[O:54][CH2:40][C@H:43]([CH2:41][O:57][P:60]([OH:52])(=[O:53])[O:56][CH2:39][C@H:42]([CH2:38][O:55][P:59]([OH:49])([OH:50])=[O:51])[OH:46])[O:58][C:45]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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