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CHEBI:9533 - thiamine(1+) monophosphate
| Formula | C12H18N4O4PS |
| Net Charge | +1 |
| Average Mass | 345.341 |
| Monoisotopic Mass | 345.07809 |
| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1 |
| InChI | InChI=1S/C12H17N4O4PS/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)/p+1 |
| InChIKey | HZSAJDVWZRBGIF-UHFFFAOYSA-O |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | - | PubMed (16666289) | |
| Brassica napus (ncbitaxon:3708) | leaf lamina (BTO:0000719) | MetaboLights (MTBLS309) | From MetaboLights |
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12111441) | |
| Micromonas pusilla (ncbitaxon:38833) | - | MetaboLights (MTBLS295) | From MetaboLights |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Ruegeria pomeroyi (ncbitaxon:89184) | endometabolome | MetaboLights (MTBLS157) | From MetaboLights |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Synechococcus elongatus (ncbitaxon:32046) | endometabolome | MetaboLights (MTBLS155) | From MetaboLights |
| Trypanosoma brucei (ncbitaxon:5691) | - | MetaboLights (MTBLS49) | From MetaboLights |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. 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). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. 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 (CHEBI:9533) has role Arabidopsis thaliana metabolite (CHEBI:140602) |
| thiamine(1+) monophosphate (CHEBI:9533) has role Escherichia coli metabolite (CHEBI:76971) |
| thiamine(1+) monophosphate (CHEBI:9533) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| thiamine(1+) monophosphate (CHEBI:9533) has role human metabolite (CHEBI:77746) |
| thiamine(1+) monophosphate (CHEBI:9533) has role mammalian metabolite (CHEBI:75768) |
| thiamine(1+) monophosphate (CHEBI:9533) has role mouse metabolite (CHEBI:75771) |
| thiamine(1+) monophosphate (CHEBI:9533) has role plant metabolite (CHEBI:76924) |
| thiamine(1+) monophosphate (CHEBI:9533) is a thiamine phosphate (CHEBI:26945) |
| thiamine(1+) monophosphate (CHEBI:9533) is a vitamin B1 (CHEBI:26948) |
| thiamine(1+) monophosphate (CHEBI:9533) is conjugate acid of thiamine(1+) monophosphate(1−) (CHEBI:37574) |
| Incoming Relation(s) |
| thiamine(1+) monophosphate chloride (CHEBI:18338) has part thiamine(1+) monophosphate (CHEBI:9533) |
| thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate base of thiamine(1+) monophosphate (CHEBI:9533) |
| IUPAC Name |
|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium |
| Synonyms | Source |
|---|---|
| 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate | ChEBI |
| 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate | PDBeChem |
| 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate | ChEBI |
| 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium | ChEBI |
| thiamine monophosphate | KEGG COMPOUND |
| thiamine phosphate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| 1099 | ChemSpider |
| C00019628 | KNApSAcK |
| C01081 | KEGG COMPOUND |
| DB03416 | DrugBank |
| FDB023043 | FooDB |
| HMDB0002666 | HMDB |
| Thiamine_monophosphate | Wikipedia |
| TPS | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Gmelin:1063443 | Gmelin |
| Reaxys:3916670 | Reaxys |
| CAS:10023-48-0 | DrugBank |
| Citations |
|---|