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| Ligand ID | 9TM |
| InChI | InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-8,10,14,16-17H,1-2H3,(H-,13,15,18,19)/p+1/t3-,5-,6-,7-,8+,10-/m1/s1 |
| InChIKey | DTEWGJXDNGDFKL-IHBVAVKPSA-O |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | C[C@@H](O)[C@@H](O)[C@@H]1[O+]=C([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O | | OpenEye OEToolkits 2.0.6 | CC(C(C1C(C(C(C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O | | CACTVS 3.385 | C[CH](O)[CH](O)[CH]1[O+]=C([CH](F)[CH](O)[CH]1NC(C)=O)C(O)=O | | OpenEye OEToolkits 2.0.6 | C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O | | ACDLabs 12.01 | O=C(O)C=1C(F)C(C(C([O+]=1)C(O)C(C)O)NC(=O)C)O |
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| Formula | C11 H17 F N O7 |
| Name | (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5w2y Chain A Residue 515
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