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| Ligand ID | K99 |
| InChI | InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1 |
| InChIKey | KSUIKNBQJWNZMW-AWLRDIFTSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.352 | OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O | | OpenEye OEToolkits 1.6.1 | C(C(C(C1C(C(C(C(O1)(C(=O)O)F)F)O)O)O)O)O | | OpenEye OEToolkits 1.6.1 | C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O | | CACTVS 3.352 | OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](F)([C@H](F)[C@H](O)[C@H]1O)C(O)=O |
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| Formula | C9 H14 F2 O8 |
| Name | (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid;
(2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000064754817
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| PDB chain | 7p1e Chain A Residue 502
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