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CHEBI:18338 - thiamine(1+) monophosphate chloride
| Formula | C12H18N4O4PS.Cl |
| Net Charge | 0 |
| Average Mass | 380.794 |
| Monoisotopic Mass | 380.04749 |
| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1.[Cl-] |
| InChI | InChI=1S/C12H17N4O4PS.ClH/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);1H |
| InChIKey | GUGWNSHJDUEHNJ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | 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. |
| Application: | 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+) monophosphate chloride (CHEBI:18338) has part thiamine(1+) monophosphate (CHEBI:9533) |
| thiamine(1+) monophosphate chloride (CHEBI:18338) is a organic chloride salt (CHEBI:36094) |
| thiamine(1+) monophosphate chloride (CHEBI:18338) is a vitamin B1 (CHEBI:26948) |
| IUPAC Name |
|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride |
| INNs | Source |
|---|---|
| monophosphothiamine | WHO MedNet |
| monophosphothiaminum | WHO MedNet |
| monofosfotiamina | WHO MedNet |
| monophosphothiamine | WHO MedNet |
| Synonyms | Source |
|---|---|
| Thiamin dihydrogenphosphatchlorid | ChemIDplus |
| thiamine monophosphate chloride | ChemIDplus |
| monophosphoric ester of thiamine | ChemIDplus |
| vitamin B1 monophosphate chloride | ChemIDplus |
| vitamin B1 phosphate chloride | ChemIDplus |
| Citations |
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