| Properties | Image |
|---|
| MNX_ID | MNXM343636 |
 |
| reference | slm:000430939 |
| formula | C30H54O19P3 |
| global charge | -5 |
| mol weight | 811.665 |
| InChIKey | HKJNMVRFHZUCCN-BLQJEOIASA-I |
| InChI | InChI=1S/C30H59O19P3/c1-4-16-23(31)44-19-22(46-24(32)18-15-13-11-9-7-5-6-8-10-12-14-17-21(2)3)20-45-52(42,43)49-28-25(33)26(34)29(47-50(36,37)38)30(27(28)35)48-51(39,40)41/h21-22,25-30,33-35H,4-20H2,1-3H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/p-5/t22-,25-,26-,27+,28+,29+,30+/m1/s1 |
| SMILES | CCCC(=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)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C30H59O19P3/c1-4-16-23(31)44-19-22(46-24(32)18-15-13-11-9-7-5-6-8-10-12-14-17-21(2)3)20-45-52(42,43)49-28-25(33)26(34)29(47-50(36,37)38)30(27(28)35)48-51(39,40)41/h21-22,25-30,33-35H,4-20H2,1-3H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/t22-,25-,26-,27+,28+,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:16][C:23](=[O:31])[O:44][CH2:19][C@H:22]([CH2:20][O:45][P:52]([OH:42])(=[O:43])[O:49][C@H:28]1[C@H:25]([OH:33])[C@@H:26]([OH:34])[C@H:29]([O:47][P:50]([OH:36])([OH:37])=[O:38])[C@@H:30]([O:48][P:51]([OH:39])([OH:40])=[O:41])[C@H:27]1[OH:35])[O:46][C:24]([CH2:18][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:17][CH:21]([CH3:2])[CH3:3])=[O:32] |
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