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CHEBI:78246 - oxythiamine chloride
| Formula | C12H16N3O2S.Cl |
| Net Charge | 0 |
| Average Mass | 301.799 |
| Monoisotopic Mass | 301.06518 |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(O)n1.[Cl-] |
| InChI | InChI=1S/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H |
| InChIKey | RNUAEUWXRHCGKX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | vitamin B1 antagonist An antagonist which acts by inhibiting the action of vitamin B1 antimetabolite A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oxythiamine chloride (CHEBI:78246) has part oxythiamine(1+) (CHEBI:78249) |
| oxythiamine chloride (CHEBI:78246) has role antimetabolite (CHEBI:35221) |
| oxythiamine chloride (CHEBI:78246) has role vitamin B1 antagonist (CHEBI:78248) |
| oxythiamine chloride (CHEBI:78246) is a organic chloride salt (CHEBI:36094) |
| Incoming Relation(s) |
| oxythiamine chloride hydrochloride (CHEBI:78244) has part oxythiamine chloride (CHEBI:78246) |
| IUPAC Name |
|---|
| 5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium chloride |
| Synonyms | Source |
|---|---|
| oxythiamine | ChEBI |
| Hydroxythiamine | ChemIDplus |
| 4-Hydroxythiamine | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5326755 | Reaxys |
| CAS:582-36-5 | ChemIDplus |
| Citations |
|---|