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CHEBI:9534 - thiamine(1+) triphosphate
| Formula | C12H20N4O10P3S |
| Net Charge | +1 |
| Average Mass | 505.299 |
| Monoisotopic Mass | 505.01075 |
| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 |
| InChI | InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1 |
| InChIKey | IWLROWZYZPNOFC-UHFFFAOYSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | - | PubMed (12943234) | |
| Escherichia coli (ncbitaxon:562) | - | PubMed (23323214) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12943234) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Rattus norvegicus (ncbitaxon:10116) | brain (BTO:0000142) | PubMed (19906644) | |
| Sus scrofa domesticus (ncbitaxon:9825) | - | PubMed (12943234) | |
| Tricholoma gambosa (ncbitaxon:40144) | - | PubMed (12943234) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). 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+) triphosphate (CHEBI:9534) has role Arabidopsis thaliana metabolite (CHEBI:140602) |
| thiamine(1+) triphosphate (CHEBI:9534) has role Escherichia coli metabolite (CHEBI:76971) |
| thiamine(1+) triphosphate (CHEBI:9534) has role fungal metabolite (CHEBI:76946) |
| thiamine(1+) triphosphate (CHEBI:9534) has role human metabolite (CHEBI:77746) |
| thiamine(1+) triphosphate (CHEBI:9534) has role mammalian metabolite (CHEBI:75768) |
| thiamine(1+) triphosphate (CHEBI:9534) has role mouse metabolite (CHEBI:75771) |
| thiamine(1+) triphosphate (CHEBI:9534) has role rat metabolite (CHEBI:86264) |
| thiamine(1+) triphosphate (CHEBI:9534) is a thiamine phosphate (CHEBI:26945) |
| thiamine(1+) triphosphate (CHEBI:9534) is a vitamin B1 (CHEBI:26948) |
| thiamine(1+) triphosphate (CHEBI:9534) is conjugate acid of thiamine(1+) triphosphate(1−) (CHEBI:18284) |
| Incoming Relation(s) |
| thiamine(1+) triphosphate(1−) (CHEBI:18284) is conjugate base of thiamine(1+) triphosphate (CHEBI:9534) |
| IUPAC Name |
|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(triphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium |
| Synonyms | Source |
|---|---|
| 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-trihydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-thiazolium | ChEBI |
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-{2-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]ethyl}-4-methyl-1,3-thiazol-3-ium | IUPAC |
| thiamine triphosphate | KEGG COMPOUND |
| thiamine triphosphoric acid ester | ChEBI |
| thiamin triphosphate | KEGG COMPOUND |
| ThTP | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 496 | ChemSpider |
| C03028 | KEGG COMPOUND |
| FDB022666 | FooDB |
| HMDB0001512 | HMDB |
| V4E | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3808304 | Beilstein |
| CAS:50851-39-3 | ChEBI |
| Citations |
|---|