| PDB CCD ID: | VIB |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C12 H17 N4 O S |
| InChI: | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| InChIKey: | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
| SMILES: | n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N; Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1; Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO |
| Name: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM; THIAMIN; VITAMIN B1 |
| ChEMBL: | CHEMBL1547 |
| DrugBank: | DB00152 |
| ZINC: | ZINC000000049153 |
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