| Properties | Image |
|---|
| MNX_ID | MNXM189092 |
 |
| reference | slm:000432890 |
| formula | C25H45O16P2 |
| global charge | -3 |
| mol weight | 663.567 |
| InChIKey | YPCWRHADZFUVKK-DICZBTHZSA-K |
| InChI | InChI=1S/C25H48O16P2/c1-4-18(26)39-17(14-37-19(27)13-11-9-7-5-6-8-10-12-16(2)3)15-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h16-17,20-25,28-31H,4-15H2,1-3H3,(H,35,36)(H2,32,33,34)/p-3/t17-,20-,21-,22-,23-,24+,25-/m1/s1 |
| SMILES | CCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)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/C25H48O16P2/c1-4-18(26)39-17(14-37-19(27)13-11-9-7-5-6-8-10-12-16(2)3)15-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h16-17,20-25,28-31H,4-15H2,1-3H3,(H,35,36)(H2,32,33,34)/t17-,20-,21-,22-,23-,24+,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C:18](=[O:26])[O:39][C@H:17]([CH2:14][O:37][C:19]([CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH:16]([CH3:2])[CH3:3])=[O:27])[CH2:15][O:38][P:43]([OH:35])(=[O:36])[O:41][C@@H:25]1[C@H:22]([OH:30])[C@H:20]([OH:28])[C@@H:21]([OH:29])[C@H:24]([O:40][P:42]([OH:32])([OH:33])=[O:34])[C@H:23]1[OH:31] |
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