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| Ligand ID | SFJ |
| InChI | InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9-,11-/m1/s1 |
| InChIKey | HMALKZAXODOYOP-DAXAGCIGSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(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@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O | | OpenEye OEToolkits 1.9.2 | CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)F)F)O | | ACDLabs 12.01 | FC1(OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO)C(=O)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)F)O |
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| Formula | C11 H17 F2 N O8 |
| Name | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid;
(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy lic acid;
2,3-difluoro-sialic acid;
5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| ChEMBL | CHEMBL4128362 |
| DrugBank | |
| ZINC | ZINC000068203664
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| PDB chain | 4wef Chain A Residue 611
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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