| Properties | Image |
|---|
| MNX_ID | MNXM344322 |
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| reference | slm:000450177 |
| formula | C30H54O19P3 |
| global charge | -5 |
| mol weight | 811.665 |
| InChIKey | APKHFNHQMIIAOQ-ODBOQSQXSA-I |
| InChI | InChI=1S/C30H59O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(32)46-22(20-44-23(31)18-4-2)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/h22,25-30,33-35H,3-21H2,1-2H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/p-5/t22-,25-,26-,27-,28-,29+,30-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C30H59O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(32)46-22(20-44-23(31)18-4-2)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/h22,25-30,33-35H,3-21H2,1-2H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/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][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][C:24](=[O:32])[O:46][C@H:22]([CH2:20][O:44][C:23]([CH2:18][CH2:4][CH3:2])=[O:31])[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] |
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