Showing Metabocard for 5beta-dihydrotestosterone (BASm0000068)
| Common Name | 5beta-dihydrotestosterone | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Description | 5beta-Dihydrotestosterone is an intermediate in Androgen and estrogen metabolism. 5beta-Dihydrotestosterone is generated from Testosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). | ||||||||
| Structure | |||||||||
| Molecular Formula | C19H30O2 | ||||||||
| Average Mass | 290.44030 | ||||||||
| Monoisotopic Mass | 290.22458 | ||||||||
| IUPAC Name | (1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one | ||||||||
| Traditional Name | 5β-dihydrotestosterone | ||||||||
| CAS Registry Number | 571-22-2 | ||||||||
| SMILES | C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | ||||||||
| InChI Identifier | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 | ||||||||
| InChI Key | NVKAWKQGWWIWPM-MISPCMORSA-N | ||||||||
| CHEBI ID | CHEBI:2150 | ||||||||
| HMDB ID | HMDB0006770 | ||||||||
| Pathways |
| ||||||||
| State | Not Available | ||||||||
| Water Solubility | 9.98e-03 g/l | ||||||||
| logP | 3.37 | ||||||||
| logS | -4.46 | ||||||||
| pKa (Strongest Acidic) | 19.38 | ||||||||
| pKa (Strongest Basic) | -0.88 | ||||||||
| Hydrogen Acceptor Count | 2 | ||||||||
| Hydrogen Donor Count | 1 | ||||||||
| Polar Surface Area | 37.3 Ų | ||||||||
| Rotatable Bond Count | 0 | ||||||||
| Physiological Charge | 0 | ||||||||
| Formal Charge | 0 | ||||||||
| Refractivity | 83.60 m³·mol⁻¹ | ||||||||
| Polarizability | 34.46 |