| Properties | Image |
|---|
| MNX_ID | MNXM344227 |
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| reference | slm:000462969 |
| formula | C27H47O16P2 |
| global charge | -3 |
| mol weight | 689.605 |
| InChIKey | FUIJOYOIRNTSPB-LGWRJLGYSA-K |
| InChI | InChI=1S/C27H50O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-16-21(29)41-19(17-39-20(28)15-4-2)18-40-45(37,38)43-27-24(32)22(30)26(23(31)25(27)33)42-44(34,35)36/h7-8,19,22-27,30-33H,3-6,9-18H2,1-2H3,(H,37,38)(H2,34,35,36)/p-3/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](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H50O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-16-21(29)41-19(17-39-20(28)15-4-2)18-40-45(37,38)43-27-24(32)22(30)26(23(31)25(27)33)42-44(34,35)36/h7-8,19,22-27,30-33H,3-6,9-18H2,1-2H3,(H,37,38)(H2,34,35,36)/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:41][C@H:19]([CH2:17][O:39][C:20]([CH2:15][CH2:4][CH3:2])=[O:28])[CH2:18][O:40][P:45]([OH:37])(=[O:38])[O:43][C@H:27]1[C@H:24]([OH:32])[C@@H:22]([OH:30])[C@H:26]([O:42][P:44]([OH:34])([OH:35])=[O:36])[C@@H:23]([OH:31])[C@H:25]1[OH:33] |
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