THMP – Thiamin monophosphate
| Name | ||
|---|---|---|
| WID | THMP |
|
| Name | Thiamin monophosphate |
|
| Traditional name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonatooxy)ethyl]-1,3-thiazol-3-ium | |
| IUPAC name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonatooxy)ethyl]-1,3-thiazol-3-ium | |
| Cross references | PubChem: 4319, CAS: 532-40-1, ChEBI: 9533, ThreeDMET: B00237, KNApSAcK: C00019628, | |
| Structure | ||
| Empirical formula (pH 7.5) | H16C12N4O4P1S1 | |
| SMILES (pH 7.5) | CC1=C(CCOP([O-])([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N | |
| Charge (pH 7.5) | -1 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 343.32 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
278.58 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | 2.20 | |
| pI | 3.54 | |
| logP | -5.94 | |
| logD (pH 7.5) | -5.22 | |
| Function | ||
| Reaction participant | thiamine-phosphate kinase [c]: ATP + THMP ⇔ ADP + TPP |
|
| Metadata | ||
| Created | 2012-10-01 15:07:08 | |
| Last updated | 2012-10-01 15:12:33 | |
