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CHEBI:48522 - 2-methyl-1-hydroxypropylthiamine diphosphate
| Formula | C16H27N4O8P2S |
| Net Charge | +1 |
| Average Mass | 497.427 |
| Monoisotopic Mass | 497.10193 |
| SMILES | Cc1ncc(C[n+]2c(C(O)C(C)C)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1 |
| InChI | InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1 |
| InChIKey | SSYCSHKTIOHFEZ-UHFFFAOYSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methyl-1-hydroxypropylthiamine diphosphate (CHEBI:48522) has role mouse metabolite (CHEBI:75771) |
| 2-methyl-1-hydroxypropylthiamine diphosphate (CHEBI:48522) is a 1,3-thiazolium cation (CHEBI:63048) |
| 2-methyl-1-hydroxypropylthiamine diphosphate (CHEBI:48522) is a aminopyrimidine (CHEBI:38338) |
| 2-methyl-1-hydroxypropylthiamine diphosphate (CHEBI:48522) is a thiamine phosphate (CHEBI:26945) |
| IUPAC Name |
|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
| Synonyms | Source |
|---|---|
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-2-(1-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-3-ium | ChEBI |
| 2-methyl-1-hydroxypropyl-thiamine diphosphate | ChEBI |
| 2-methyl-1-hydroxypropyl-thiamine pyrophosphate | ChEBI |
| 1-hydroxy-2-methylpropyl-thiamine diphosphate | ChEBI |
| 1-hydroxy-2-methylpropyl-thiamine pyrophosphate | ChEBI |
| 2-Methyl-1-hydroxypropyl-TPP | KEGG COMPOUND |