Structure of PDB 5oo2 Chain B Binding Site BS01 |
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| Ligand ID | 9YW |
| InChI | InChI=1S/C8H14O8/c9-1-3-5(12)6(13)7(14)8(16-3)15-2-4(10)11/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5-,6+,7-,8+/m1/s1 |
| InChIKey | CEXKKLVRUODYGY-VDUCJHRSSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC[CH]1O[CH](OCC(O)=O)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O | | OpenEye OEToolkits 2.0.6 | C(C1C(C(C(C(O1)OCC(=O)O)O)O)O)O | | CACTVS 3.385 | OC[C@H]1O[C@H](OCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |
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| Formula | C8 H14 O8 |
| Name | (alpha-D-glucopyranosyloxy)acetic acid;
Glucosylglycolate;
(alpha-D-glucosyloxy)acetic acid;
(D-glucosyloxy)acetic acid;
(glucosyloxy)acetic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5oo2 Chain B Residue 506
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| Enzyme Commision number |
3.2.1.208: glucosylglycerate hydrolase. |
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