| Primary information |
|---|
| ID | 20152 |
| Pubchem ID | 451487 |
| Name | Taurolithocholic acid 3-sulfate |
| Description | NA |
| Synonym | Taurolithocholic acid 3-sulfate Ethanesulfonic acid; 2-(((3.alpha.; 5.beta.)-24-oxo-3-(sulfooxy)cholan-24-yl)amino)- |
| Molecular Weight | 563.77 |
| Formula | C26H45NO8S2 |
| IUPAC | 2-[[(4R)-4-[(3R;5R;8R;10S;13R;14S;17R)-10;13-dimethyl-3-sulfooxy-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
| SMILE | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C |
| PDB ID | NA |
| KEGG | C03642 |
| HMDB ID | HMDB0002580 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|