| Primary information |
|---|
| ID | 20428 |
| Pubchem ID | 439763 |
| Name | Lithocholyltaurine |
| Description | Lithocholyltaurine is a bile salt formed in the liver from lithocholic acid conjugation with taurine; usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. Lithocholic acid; a hydrophobic secondary bile acid; is well known to cause intrahepatic cholestasis. |
| Synonym | Taurolithocholate;Taurolithocholic acid;Taurine lithocholate;Acid; taurolithocholic;Taurolithocholic acid; monosodium salt;Lithocholate; taurine;3alpha-Hydroxy-5beta-cholanoyltaurine;3alpha-Hydroxy-N- |
| Molecular Weight | 483.71 |
| Formula | C26H45NO5S |
| IUPAC | 2-[(4R)-4-[(1S;2S;5R;7R;10R;11S;14R;15R)-5-hydroxy-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])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |
| PDB ID | NA |
| KEGG | C02592 |
| HMDB ID | HMDB0000722 |
| Melting Point (Degree C) | 212 |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|