| Properties | Image |
|---|
| MNX_ID | MNXM343541 |
 |
| reference | slm:000469322 |
| formula | C28H50O19P3 |
| global charge | -5 |
| mol weight | 783.611 |
| InChIKey | INASFLHYROGGCN-MWXBJQRWSA-I |
| InChI | InChI=1S/C28H55O19P3/c1-4-14-21(29)42-17-20(44-22(30)16-13-11-9-7-5-6-8-10-12-15-19(2)3)18-43-50(40,41)47-26-23(31)24(32)27(45-48(34,35)36)28(25(26)33)46-49(37,38)39/h19-20,23-28,31-33H,4-18H2,1-3H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/p-5/t20-,23-,24+,25+,26-,27-,28-/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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H55O19P3/c1-4-14-21(29)42-17-20(44-22(30)16-13-11-9-7-5-6-8-10-12-15-19(2)3)18-43-50(40,41)47-26-23(31)24(32)27(45-48(34,35)36)28(25(26)33)46-49(37,38)39/h19-20,23-28,31-33H,4-18H2,1-3H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/t20-,23-,24+,25+,26-,27-,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:14][C:21](=[O:29])[O:42][CH2:17][C@H:20]([CH2:18][O:43][P:50]([OH:40])(=[O:41])[O:47][C@@H:26]1[C@H:23]([OH:31])[C@H:24]([OH:32])[C@@H:27]([O:45][P:48]([OH:34])([OH:35])=[O:36])[C@H:28]([O:46][P:49]([OH:37])([OH:38])=[O:39])[C@H:25]1[OH:33])[O:44][C:22]([CH2:16][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:15][CH:19]([CH3:2])[CH3:3])=[O:30] |
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