| Properties | Image |
|---|
| MNX_ID | MNXM338073 |
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| reference | slm:000469138 |
| formula | C39H70O19P3 |
| global charge | -5 |
| mol weight | 935.892 |
| InChIKey | BDWUDFIHCYQADH-RGFIDVLYSA-I |
| InChI | InChI=1S/C39H75O19P3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h10,12,31,34-39,42-44H,3-9,11,13-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/b12-10-/t31-,34-,35+,36+,37-,38-,39-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H75O19P3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h10,12,31,34-39,42-44H,3-9,11,13-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b12-10-/t31-,34-,35+,36+,37-,38-,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:55][C@H:31]([CH2:29][O:53][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[CH2:30][O:54][P:61]([OH:51])(=[O:52])[O:58][C@@H:37]1[C@H:34]([OH:42])[C@H:35]([OH:43])[C@@H:38]([O:56][P:59]([OH:45])([OH:46])=[O:47])[C@H:39]([O:57][P:60]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44] |
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