| Properties | Image |
|---|
| MNX_ID | MNXM342394 |
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| reference | slm:000450052 |
| formula | C28H50O19P3 |
| global charge | -5 |
| mol weight | 783.611 |
| InChIKey | VZXFQLJTDSTKEY-SICXIAQBSA-I |
| InChI | InChI=1S/C28H55O19P3/c1-19(2)15-13-11-9-7-5-4-6-8-10-12-14-16-22(30)44-21(17-42-20(3)29)18-43-50(40,41)47-28-24(32)26(45-48(34,35)36)23(31)27(25(28)33)46-49(37,38)39/h19,21,23-28,31-33H,4-18H2,1-3H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/p-5/t21-,23-,24-,25-,26-,27+,28-/m1/s1 |
| SMILES | CC(=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)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H55O19P3/c1-19(2)15-13-11-9-7-5-4-6-8-10-12-14-16-22(30)44-21(17-42-20(3)29)18-43-50(40,41)47-28-24(32)26(45-48(34,35)36)23(31)27(25(28)33)46-49(37,38)39/h19,21,23-28,31-33H,4-18H2,1-3H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/t21-,23-,24-,25-,26-,27+,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C:22](=[O:30])[O:44][C@H:21]([CH2:17][O:42][C:20]([CH3:3])=[O:29])[CH2:18][O:43][P:50]([OH:40])(=[O:41])[O:47][C@@H:28]1[C@H:24]([OH:32])[C@H:26]([O:45][P:48]([OH:34])([OH:35])=[O:36])[C@@H:23]([OH:31])[C@H:27]([O:46][P:49]([OH:37])([OH:38])=[O:39])[C@H:25]1[OH:33] |
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