| Properties | Image |
|---|
| MNX_ID | MNXM343202 |
 |
| reference | slm:000450107 |
| formula | C14H22O19P3 |
| global charge | -5 |
| mol weight | 587.233 |
| InChIKey | JUPIKKAGPGJIBI-COXDTDAOSA-I |
| InChI | InChI=1S/C14H27O19P3/c1-3-8(16)30-7(4-28-6(2)15)5-29-36(26,27)33-14-10(18)12(31-34(20,21)22)9(17)13(11(14)19)32-35(23,24)25/h7,9-14,17-19H,3-5H2,1-2H3,(H,26,27)(H2,20,21,22)(H2,23,24,25)/p-5/t7-,9-,10-,11-,12-,13+,14-/m1/s1 |
| SMILES | CCC(=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](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C14H27O19P3/c1-3-8(16)30-7(4-28-6(2)15)5-29-36(26,27)33-14-10(18)12(31-34(20,21)22)9(17)13(11(14)19)32-35(23,24)25/h7,9-14,17-19H,3-5H2,1-2H3,(H,26,27)(H2,20,21,22)(H2,23,24,25)/t7-,9-,10-,11-,12-,13+,14-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C:8](=[O:16])[O:30][C@H:7]([CH2:4][O:28][C:6]([CH3:2])=[O:15])[CH2:5][O:29][P:36]([OH:26])(=[O:27])[O:33][C@@H:14]1[C@H:10]([OH:18])[C@H:12]([O:31][P:34]([OH:20])([OH:21])=[O:22])[C@@H:9]([OH:17])[C@H:13]([O:32][P:35]([OH:23])([OH:24])=[O:25])[C@H:11]1[OH:19] |
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