| Primary information |
|---|
| ID | 20443 |
| Pubchem ID | 387316 |
| Name | Taurochenodesoxycholic acid |
| Description | Taurochenodesoxycholic acid is a bile acid formed in the liver by conjugation of chenodeoxycholate with taurine; usually as the sodium salt. Bile acids are steroid acids found predominantly in the bile of mammals. |
| Synonym | Chenodeoxycholoyltaurine;Taurine chenodeoxycholate;Taurochenodeoxycholate;Taurochenodeoxycholic acid;Taurine chenodeoxycholic acid;Taurochenodesoxycholate;12-Deoxycholyltaurine;12-Desoxycholyltaurine; |
| Molecular Weight | 499.704 |
| Formula | C26H45NO6S |
| IUPAC | 2-[(4R)-4-[(1S;2S;5R;7S;9R;10R;11S;14R;15R)-5;9-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])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |
| PDB ID | NA |
| KEGG | C05465 |
| HMDB ID | HMDB0000951 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|