| 名称 | 内容 |
|---|---|
| kegg编号 | C01081 |
| pubchemid | 4319 |
| name | Thiamin monophosphate |
| formula | C12H18N4O4PS |
| structure |  |
| Isomeric_Smiles | CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CC6=C(C=C5)OCO6 |
| Cannoical_Smiles | CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CC6=C(C=C5)OCO6 |
| Gotenzyme_Smiles | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1 |
