Structure of PDB 5oxs Chain C Binding Site BS01 |
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Ligand ID | K5B |
InChI | InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1 |
InChIKey | HVHHMEMCULPBED-BDVNFPICSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O | CACTVS 3.385 | OC[C@H]1O[C@@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O | OpenEye OEToolkits 2.0.6 | C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O | CACTVS 3.385 | OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O |
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Formula | C8 H12 O7 |
Name | 4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid; 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 5oxs Chain F Residue 1
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Enzyme Commision number |
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