EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:33283 - thiamine(1+) chloride
| Formula | C12H17N4OS.Cl |
| Net Charge | 0 |
| Average Mass | 300.815 |
| Monoisotopic Mass | 300.08116 |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-] |
| InChI | InChI=1S/C12H17N4OS.ClH/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);1H/q+1;/p-1 |
| InChIKey | MYVIATVLJGTBFV-UHFFFAOYSA-M |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. |
| Applications: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. renoprotective agent Any compound that is able to prevent damage to the kidneys. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| thiamine(1+) chloride (CHEBI:33283) has part thiamine(1+) (CHEBI:18385) |
| thiamine(1+) chloride (CHEBI:33283) has role anti-anaemic agent (CHEBI:75835) |
| thiamine(1+) chloride (CHEBI:33283) has role cardiovascular drug (CHEBI:35554) |
| thiamine(1+) chloride (CHEBI:33283) has role immunosuppressive agent (CHEBI:35705) |
| thiamine(1+) chloride (CHEBI:33283) has role renoprotective agent (CHEBI:231911) |
| thiamine(1+) chloride (CHEBI:33283) is a organic chloride salt (CHEBI:36094) |
| thiamine(1+) chloride (CHEBI:33283) is a vitamin B1 (CHEBI:26948) |
| IUPAC Name |
|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride |
| INNs | Source |
|---|---|
| thiamine | WHO MedNet |
| thiamine | WHO MedNet |
| thiaminum | WHO MedNet |
| tiamina | WHO MedNet |
| Synonyms | Source |
|---|---|
| 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride | ChemIDplus |
| Aneurine | ChEMBL |
| Apatate drape | ChEMBL |
| Beivon | ChEMBL |
| Bethiamin | ChEMBL |
| Oryzanin | ChEMBL |
| Brand Name | Source |
|---|---|
| Thiamine component of vitaped | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 5819 | ChemSpider |
| D08580 | KEGG DRUG |
| DBSALT002650 | DrugBank |
| Thiamine | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Gmelin:318226 | Gmelin |
| Beilstein:3581326 | Beilstein |
| CAS:59-43-8 | ChemIDplus |
| Citations |
|---|