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CHEBI:18385 - thiamine(1+)
| Formula | C12H17N4OS |
| Net Charge | +1 |
| Average Mass | 265.362 |
| Monoisotopic Mass | 265.11176 |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 |
| InChI | InChI=1S/C12H17N4OS/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)/q+1 |
| InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Homo sapiens (ncbitaxon:9606) | |||
| - | DOI (10.1038/nbt.2488) | ||
| - | MetaboLights (MTBLS290) | From MetaboLights | |
| - | MetaboLights (MTBLS292) | From MetaboLights | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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+) (CHEBI:18385) has role Escherichia coli metabolite (CHEBI:76971) |
| thiamine(1+) (CHEBI:18385) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| thiamine(1+) (CHEBI:18385) has role human metabolite (CHEBI:77746) |
| thiamine(1+) (CHEBI:18385) has role mouse metabolite (CHEBI:75771) |
| thiamine(1+) (CHEBI:18385) is a primary alcohol (CHEBI:15734) |
| thiamine(1+) (CHEBI:18385) is a vitamin B1 (CHEBI:26948) |
| thiamine(1+) (CHEBI:18385) is conjugate base of thiamine(2+) (CHEBI:49107) |
| Incoming Relation(s) |
| adenosine thiamine triphosphate (CHEBI:71394) has functional parent thiamine(1+) (CHEBI:18385) |
| benfotiamine (CHEBI:41039) has functional parent thiamine(1+) (CHEBI:18385) |
| thiamine phosphate (CHEBI:26945) has functional parent thiamine(1+) (CHEBI:18385) |
| thiamine(1+) chloride (CHEBI:33283) has part thiamine(1+) (CHEBI:18385) |
| thiamine(2+) (CHEBI:49107) is conjugate acid of thiamine(1+) (CHEBI:18385) |
| IUPAC Name |
|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium |
| Synonyms | Source |
|---|---|
| 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM | PDBeChem |
| Aneurin | KEGG COMPOUND |
| Antiberiberi factor | KEGG COMPOUND |
| Thiamin | KEGG COMPOUND |
| Thiamin | KEGG COMPOUND |
| Thiamine | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| thiamine | UniProt |
| Citations |
|---|