| Properties | Image |
|---|
| MNX_ID | MNXM344450 |
 |
| reference | slm:000462985 |
| formula | C16H27O16P2 |
| global charge | -3 |
| mol weight | 537.324 |
| InChIKey | VKKFGFSBKGWNPR-PYVQLHLMSA-K |
| InChI | InChI=1S/C16H30O16P2/c1-3-5-10(18)28-6-8(30-9(17)4-2)7-29-34(26,27)32-16-13(21)11(19)15(12(20)14(16)22)31-33(23,24)25/h8,11-16,19-22H,3-7H2,1-2H3,(H,26,27)(H2,23,24,25)/p-3/t8-,11-,12+,13-,14-,15+,16+/m1/s1 |
| SMILES | CCCC(=O)OC[C@H](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)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C16H30O16P2/c1-3-5-10(18)28-6-8(30-9(17)4-2)7-29-34(26,27)32-16-13(21)11(19)15(12(20)14(16)22)31-33(23,24)25/h8,11-16,19-22H,3-7H2,1-2H3,(H,26,27)(H2,23,24,25)/t8-,11-,12+,13-,14-,15+,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][C:10](=[O:18])[O:28][CH2:6][C@H:8]([CH2:7][O:29][P:34]([OH:26])(=[O:27])[O:32][C@H:16]1[C@H:13]([OH:21])[C@@H:11]([OH:19])[C@H:15]([O:31][P:33]([OH:23])([OH:24])=[O:25])[C@@H:12]([OH:20])[C@H:14]1[OH:22])[O:30][C:9]([CH2:4][CH3:2])=[O:17] |
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