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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 |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| - | DOI (10.1038/nbt.2488) | ||
| - | MetaboLights (MTBLS290) | From MetaboLights | |
| - | MetaboLights (MTBLS292) | From MetaboLights | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. 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 |
|---|---|
| Thiamin | KEGG COMPOUND |
| Thiamine | KEGG COMPOUND |
| Vitamin B1 | KEGG COMPOUND |
| Aneurin | KEGG COMPOUND |
| Antiberiberi factor | KEGG COMPOUND |
| thiaminium | ChEBI |
| UniProt Name | Source |
|---|---|
| thiamine | UniProt |
| Citations |
|---|