Showing Metabocard for (4R,5S)-dethiobiotin (BASm0010887)
| Common Name | (4r,5s)-dethiobiotin |
|---|---|
| Description | Dethiobiotin is a synthetic metabolite that mimic the effects of biotin on gene expression and thus have biotin-like activities. It is an intermediate in biotin metabolism, and converted to biotin via biotin synthase (EC:2.8.1.6). (KEGG) Biotin serves as a coenzyme for carboxylases such as propionyl-CoA carboxylase. (PMID 12730407 ) |
| Structure | |
| Molecular Formula | C10H18N2O3 |
| Average Mass | 214.26150 |
| Monoisotopic Mass | 214.13174 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 533-48-2 |
| SMILES | C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-] |
| InChI Identifier | InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 |
| InChI Key | AUTOLBMXDDTRRT-JGVFFNPUSA-N |
| CHEBI ID | CHEBI:149473 |
| HMDB ID | HMDB0003581 |
| MiMeDB ID | MMDBc0029726 |
| State | Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |