| Properties | Image |
|---|
| MNX_ID | MNXM342955 |
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| reference | slm:000456489 |
| formula | C27H47O16P2 |
| global charge | -3 |
| mol weight | 689.605 |
| InChIKey | UFFMLOIZTGMXMM-QGZNEDPTSA-K |
| InChI | InChI=1S/C27H50O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)41-20(17-39-19(2)28)18-40-45(37,38)43-27-24(32)22(30)23(31)26(25(27)33)42-44(34,35)36/h8-9,20,22-27,30-33H,3-7,10-18H2,1-2H3,(H,37,38)(H2,34,35,36)/p-3/b9-8-/t20-,22+,23+,24-,25-,26-,27+/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H50O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)41-20(17-39-19(2)28)18-40-45(37,38)43-27-24(32)22(30)23(31)26(25(27)33)42-44(34,35)36/h8-9,20,22-27,30-33H,3-7,10-18H2,1-2H3,(H,37,38)(H2,34,35,36)/b9-8-/t20-,22+,23+,24-,25-,26-,27+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:21](=[O:29])[O:41][C@H:20]([CH2:17][O:39][C:19]([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:23]([OH:31])[C@@H:26]([O:42][P:44]([OH:34])([OH:35])=[O:36])[C@H:25]1[OH:33] |
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