| Primary information |
|---|
| ID | 20202 |
| Pubchem ID | 6455391 |
| Name | Taurochenodeoxycholate-7-sulfate |
| Description | affects bile flow and biliary lipids; RN refers to di-Na salt; structure given in first source |
| Synonym | Tcdc-7-S Taurochenodeoxycholate-7-sulfate Ethanesulfonic acid; 2-(((3alpha;5beta;7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)am ino)-; disodium salt |
| Molecular Weight | 623.73 |
| Formula | C26H45NO9S2 |
| IUPAC | disodium2-[[(4R)-4-[(3R;5S;7R;10S;13R;17R)-3-hydroxy-10;13-dimethyl-7-sulfonatooxy-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| SMILE | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+] |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0002498 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|