| Properties | Image |
|---|
| MNX_ID | MNXM325184 |
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| reference | slm:000468829 |
| formula | C28H46O19P3 |
| global charge | -5 |
| mol weight | 779.579 |
| InChIKey | VSCSJZOOFRJCEI-MYIZDURKSA-I |
| InChI | InChI=1S/C28H51O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(30)42-18-20(44-21(29)4-2)19-43-50(40,41)47-26-23(31)24(32)27(45-48(34,35)36)28(25(26)33)46-49(37,38)39/h6-7,9-10,20,23-28,31-33H,3-5,8,11-19H2,1-2H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/p-5/b7-6-,10-9-/t20-,23-,24+,25+,26-,27-,28-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C28H51O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(30)42-18-20(44-21(29)4-2)19-43-50(40,41)47-26-23(31)24(32)27(45-48(34,35)36)28(25(26)33)46-49(37,38)39/h6-7,9-10,20,23-28,31-33H,3-5,8,11-19H2,1-2H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/b7-6-,10-9-/t20-,23-,24+,25+,26-,27-,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:22](=[O:30])[O:42][CH2:18][C@H:20]([CH2:19][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:21]([CH2:4][CH3:2])=[O:29] |
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