| PDB CCD ID: | HTP |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H12 N3 O4 |
| InChI: | InChI=1S/C7H11N3O4/c11-2-4-6(13)7(14)5(12)3-1-8-9-10(3)4/h1,4-7,11-14H,2H2/p+1/t4-,5+,6-,7-/m1/s1 |
| InChIKey: | QTNWFPNNMUCBLD-XZBKPIIZSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1c2[n+]([nH]n1)C(C(C(C2O)O)O)CO | | ACDLabs 10.04 | OC2c1cnn[n+]1C(C(O)C2O)CO | | CACTVS 3.341 | OC[CH]1[CH](O)[CH](O)[CH](O)c2cn[nH][n+]12 | | CACTVS 3.341 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2cn[nH][n+]12 | | OpenEye OEToolkits 1.5.0 | c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO |
|
| Name: | 4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM |
| ZINC: | ZINC000033821361 |
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