Structure of PDB 7o0w Chain C Binding Site BS06 |
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Ligand ID | V75 |
InChI | InChI=1S/C10H14O8/c1-4(11)17-6-3-16-9(10(14)15)7(13)8(6)18-5(2)12/h6-9,13H,3H2,1-2H3,(H,14,15)/t6-,7-,8+,9-/m0/s1 |
InChIKey | PUWANSDFPUWGOX-MAUMQABQSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | CC(=O)O[C@H]1CO[C@@H]([C@@H](O)[C@@H]1OC(C)=O)C(O)=O | OpenEye OEToolkits 2.0.7 | CC(=O)OC1COC(C(C1OC(=O)C)O)C(=O)O | OpenEye OEToolkits 2.0.7 | CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O | CACTVS 3.385 | CC(=O)O[CH]1CO[CH]([CH](O)[CH]1OC(C)=O)C(O)=O |
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Formula | C10 H14 O8 |
Name | (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7o0w Chain C Residue 1006
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Enzyme Commision number |
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