| Primary information |
|---|
| ID | 20153 |
| Pubchem ID | NA |
| Name | Taurocholic acid 3-sulfate |
| Description | Taurocholic acid 3-sulfate is a sulfated bile acid. It is a sulfate salt of taurocholic acid and is also known as cholaic acid; cholyltaurine; or acidum cholatauricum. Under normal circumstances; bile acid sulfation is a minor pathway. However in the presence of cholestasis; the fraction of the bile |
| Synonym | 3-Sulfocholyltaurine#Taurocholic acid 3-sulfate#Taurocholic acid 3-sulfic acid#Taurocholic acid 3a-sulfate |
| Molecular Weight | 595.77 |
| Formula | C26H45NO10S2 |
| IUPAC | 2-[[(3a;5b;7a;12a)-7;12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid |
| SMILE | CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CC(O)C12C)OS(O)(=O)=O |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0002581 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|