| Primary information |
|---|
| ID | 20433 |
| Pubchem ID | 2733768 |
| Name | Taurodeoxycholic acid |
| Description | Taurodeoxycholic acid is a bile salt formed in the liver by conjugation of deoxycholate with taurine; usually as the sodium salt. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute; depending only on the presence or absence |
| Synonym | Taurodeoxycholate;Acid; taurodeoxycholic;Deoxycholate; taurine;Sodium taurodeoxycholate;Taurine deoxycholate;Deoxycholyltaurine;Taurodeoxycholate; sodium;Deoxytaurocholate;Deoxytaurocholic acid;N-(3a; |
| Molecular Weight | 499.704 |
| Formula | C26H45NO6S |
| IUPAC | 2-[(4R)-4-[(1S;2S;5R;7R;10R;11S;14R;15R;16S)-5;16-dihydroxy-2;15-dimethyltetracyclo[8.7.0.0^{2;7}.0^{11;15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid |
| SMILE | [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |
| PDB ID | NA |
| KEGG | C05463 |
| HMDB ID | HMDB0000896 |
| Melting Point (Degree C) | 204 |
| Water Solubility | 41 mg/mL |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|