| Properties | Image |
|---|
| MNX_ID | MNXM192854 |
 |
| reference | slm:000445604 |
| formula | C30H52O19P3 |
| global charge | -5 |
| mol weight | 809.649 |
| InChIKey | CVIXUYOIDIAAJG-HLNZTUPRSA-I |
| InChI | InChI=1S/C30H57O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(32)44-20-22(46-23(31)4-2)21-45-52(42,43)49-30-26(34)28(47-50(36,37)38)25(33)29(27(30)35)48-51(39,40)41/h9-10,22,25-30,33-35H,3-8,11-21H2,1-2H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/p-5/b10-9+/t22-,25-,26-,27-,28-,29+,30-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C30H57O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(32)44-20-22(46-23(31)4-2)21-45-52(42,43)49-30-26(34)28(47-50(36,37)38)25(33)29(27(30)35)48-51(39,40)41/h9-10,22,25-30,33-35H,3-8,11-21H2,1-2H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/b10-9+/t22-,25-,26-,27-,28-,29+,30-/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][CH2:19][C:24](=[O:32])[O:44][CH2:20][C@H:22]([CH2:21][O:45][P:52]([OH:42])(=[O:43])[O:49][C@@H:30]1[C@H:26]([OH:34])[C@H:28]([O:47][P:50]([OH:36])([OH:37])=[O:38])[C@@H:25]([OH:33])[C@H:29]([O:48][P:51]([OH:39])([OH:40])=[O:41])[C@H:27]1[OH:35])[O:46][C:23]([CH2:4][CH3:2])=[O:31] |
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