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| Ligand ID | DF4 |
| InChI | InChI=1S/C11H16FNO8/c1-3(15)13-6-8(18)5(12)9(11(19)20)21-10(6)7(17)4(16)2-14/h4-8,10,14,16-18H,2H2,1H3,(H-,13,15,19,20)/t4-,5-,6-,7-,8+,10-/m1/s1 |
| InChIKey | OXSMZBYWMIZHJQ-LNSOWFDVSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC(=O)NC1C(C(C(=[O+]C1C(C(CO)O)O)C(=O)[O-])F)O | | OpenEye OEToolkits 1.9.2 | CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O | | CACTVS 3.385 | CC(=O)N[CH]1[CH](O)[CH](F)C(=[O+][CH]1[CH](O)[CH](O)CO)C([O-])=O | | CACTVS 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)C(=[O+][C@H]1[C@H](O)[C@H](O)CO)C([O-])=O | | ACDLabs 12.01 | [O-]C(=O)C1=[O+]C(C(NC(=O)C)C(O)C1F)C(O)C(O)CO |
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| Formula | C11 H16 F N O8 |
| Name | (3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4wef Chain B Residue 611
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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