| Properties | Image |
|---|
| MNX_ID | MNXM344224 |
 |
| reference | slm:000450170 |
| formula | C27H46O19P3 |
| global charge | -5 |
| mol weight | 767.568 |
| InChIKey | FICGRJLYDGZSTH-UORUUULJSA-I |
| InChI | InChI=1S/C27H51O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-16-21(29)43-19(17-41-20(28)15-4-2)18-42-49(39,40)46-27-23(31)25(44-47(33,34)35)22(30)26(24(27)32)45-48(36,37)38/h7-8,19,22-27,30-32H,3-6,9-18H2,1-2H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/p-5/b8-7-/t19-,22-,23-,24-,25-,26+,27-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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/C27H51O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-16-21(29)43-19(17-41-20(28)15-4-2)18-42-49(39,40)46-27-23(31)25(44-47(33,34)35)22(30)26(24(27)32)45-48(36,37)38/h7-8,19,22-27,30-32H,3-6,9-18H2,1-2H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/b8-7-/t19-,22-,23-,24-,25-,26+,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][C:21](=[O:29])[O:43][C@H:19]([CH2:17][O:41][C:20]([CH2:15][CH2:4][CH3:2])=[O:28])[CH2:18][O:42][P:49]([OH:39])(=[O:40])[O:46][C@@H:27]1[C@H:23]([OH:31])[C@H:25]([O:44][P:47]([OH:33])([OH:34])=[O:35])[C@@H:22]([OH:30])[C@H:26]([O:45][P:48]([OH:36])([OH:37])=[O:38])[C@H:24]1[OH:32] |
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