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CHEBI:750868 - thiamine mononitrate
| Formula | NO3.C12H17N4OS |
| Net Charge | 0 |
| Average Mass | 327.366 |
| Monoisotopic Mass | 327.10013 |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.O=[N+]([O-])[O-] |
| InChI | InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1 |
| InChIKey | UIERGBJEBXXIGO-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. |
| Applications: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. 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 mononitrate (CHEBI:750868) has role cardiovascular drug (CHEBI:35554) |
| thiamine mononitrate (CHEBI:750868) is a vitamin B1 (CHEBI:26948) |
| Synonyms | Source |
|---|---|
| Aneurine mononitrate | ChEMBL |
| Betabion mononitrate | ChEMBL |
| Thiamine nitrate | ChEMBL |
| Thiamine nitrate (salt) | ChEMBL |
| Thiamini mononitras | ChEMBL |
| Thiamin mononitrate | ChEMBL |