| Primary information |
|---|
| ID | 20369 |
| Pubchem ID | 6675 |
| Name | Taurocholic acid |
| Description | Taurocholic acid is a bile acid and is the product of the conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. Bile acids are steroid acids found predominantly in the bile of mammals. |
| Synonym | 3alpha;7alpha;12alpha-Trihydroxy-5beta-cholanic acid 24-taurine;Cholic acid taurine conjugate;Choloyl-taurine;Cholyltaurine;N-Choloyltaurine;Taurocholate;3a;7a;12a-Trihydroxy-5b-cholanate 24-taurine;3 |
| Molecular Weight | 515.703 |
| Formula | C26H45NO7S |
| IUPAC | 2-[(4R)-4-[(1S;2S;5R;7S;9R;10R;11S;14R;15R;16S)-5;9;16-trihydroxy-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])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |
| PDB ID | NA |
| KEGG | C05122 |
| HMDB ID | HMDB0000036 |
| Melting Point (Degree C) | 125 |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|