| Properties | Image |
|---|
| MNX_ID | MNXM343120 |
 |
| reference | slm:000456501 |
| formula | C17H29O16P2 |
| global charge | -3 |
| mol weight | 551.351 |
| InChIKey | QNLHHGUHWHWXQF-ZIZPINFPSA-K |
| InChI | InChI=1S/C17H32O16P2/c1-3-4-5-6-11(19)31-10(7-29-9(2)18)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h10,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/p-3/t10-,12+,13+,14-,15-,16-,17+/m1/s1 |
| SMILES | CCCCCC(=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/C17H32O16P2/c1-3-4-5-6-11(19)31-10(7-29-9(2)18)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h10,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t10-,12+,13+,14-,15-,16-,17+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][C:11](=[O:19])[O:31][C@H:10]([CH2:7][O:29][C:9]([CH3:2])=[O:18])[CH2:8][O:30][P:35]([OH:27])(=[O:28])[O:33][C@H:17]1[C@H:14]([OH:22])[C@@H:12]([OH:20])[C@H:13]([OH:21])[C@@H:16]([O:32][P:34]([OH:24])([OH:25])=[O:26])[C@H:15]1[OH:23] |
|