| Properties | Image |
|---|
| MNX_ID | MNXM343496 |
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| reference | slm:000430930 |
| formula | C31H54O19P3 |
| global charge | -5 |
| mol weight | 823.676 |
| InChIKey | BGNLZTKVBFBMKL-SPCXYZEMSA-I |
| InChI | InChI=1S/C31H59O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(33)47-23(21-45-24(32)19-4-2)22-46-53(43,44)50-29-26(34)27(35)30(48-51(37,38)39)31(28(29)36)49-52(40,41)42/h9-10,23,26-31,34-36H,3-8,11-22H2,1-2H3,(H,43,44)(H2,37,38,39)(H2,40,41,42)/p-5/b10-9-/t23-,26-,27-,28+,29+,30+,31+/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C31H59O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(33)47-23(21-45-24(32)19-4-2)22-46-53(43,44)50-29-26(34)27(35)30(48-51(37,38)39)31(28(29)36)49-52(40,41)42/h9-10,23,26-31,34-36H,3-8,11-22H2,1-2H3,(H,43,44)(H2,37,38,39)(H2,40,41,42)/b10-9-/t23-,26-,27-,28+,29+,30+,31+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:25](=[O:33])[O:47][C@H:23]([CH2:21][O:45][C:24]([CH2:19][CH2:4][CH3:2])=[O:32])[CH2:22][O:46][P:53]([OH:43])(=[O:44])[O:50][C@H:29]1[C@H:26]([OH:34])[C@@H:27]([OH:35])[C@H:30]([O:48][P:51]([OH:37])([OH:38])=[O:39])[C@@H:31]([O:49][P:52]([OH:40])([OH:41])=[O:42])[C@H:28]1[OH:36] |
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