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| Ligand ID | 9WM |
| InChI | InChI=1S/C11H16FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-8,10,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7-,8-,10-/m1/s1 |
| InChIKey | JMALISIZGRCKCG-VRRGKTLJSA-O |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N[CH]1C[CH](F)C(=[O+][CH]1[CH](O)[CH](O)CO)C(O)=O | | CACTVS 3.385 | CC(=O)N[C@@H]1C[C@@H](F)C(=[O+][C@H]1[C@H](O)[C@H](O)CO)C(O)=O | | OpenEye OEToolkits 2.0.6 | CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F | | OpenEye OEToolkits 2.0.6 | CC(=O)NC1CC(C(=[O+]C1C(C(CO)O)O)C(=O)O)F | | ACDLabs 12.01 | OC(=O)C=1C(F)CC(C([O+]=1)C(O)C(CO)O)NC(=O)C |
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| Formula | C11 H17 F N O7 |
| Name | (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5w26 Chain A Residue 514
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