Structure of PDB 8y4j Chain C Binding Site BS01 |
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| Ligand ID | A1LXD |
| InChI | InChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1 |
| InChIKey | DONPUMGGARYEMQ-UCORVYFPSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[C@@H]1CO[C@@](O)(C1)C(O)=O | | OpenEye OEToolkits 2.0.7 | C1C(COC1(C(=O)O)O)O | | OpenEye OEToolkits 2.0.7 | C1[C@@H](CO[C@@]1(C(=O)O)O)O | | CACTVS 3.385 | O[CH]1CO[C](O)(C1)C(O)=O |
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| Formula | C5 H8 O5 |
| Name | D-2-keto-3-deoxypentonate;
(2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8y4j Chain C Residue 301
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