| PDB CCD ID: | IKX |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C11 H12 N4 O5 |
| InChI: | InChI=1S/C11H12N4O5/c16-2-1-6-5-15(14-13-6)7-3-8(10(17)18)12-9(4-7)11(19)20/h3-5,13-14,16H,1-2H2,(H,17,18)(H,19,20) |
| InChIKey: | RFMWOHVUEQDMAL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO | | ACDLabs 12.01 | O=C(O)c2nc(C(=O)O)cc(N1C=C(NN1)CCO)c2 | | CACTVS 3.385 | OCCC1=CN(NN1)c2cc(nc(c2)C(O)=O)C(O)=O |
|
| Name: | 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid |
| ZINC: | ZINC000095920650 |
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