| PDB CCD ID: | TPS |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C12 H18 N4 O4 P S |
| InChI: | InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1 |
| InChIKey: | HZSAJDVWZRBGIF-UHFFFAOYSA-O |
| SMILES: | Cc1ncc(C[n+]2csc(CCO[P](O)(O)=O)c2C)c(N)n1; Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O; O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N |
| Name: | THIAMIN PHOSPHATE |
| ChEMBL: | CHEMBL1236378 |
| ZINC: | ZINC000001532839 |
Reference: