| Primary information |
|---|
| ID | 20151 |
| Pubchem ID | 194244 |
| Name | Taurochenodeoxycholate-3-sulfate |
| Description | NA |
| Synonym | TCDCS Taurochenodeoxycholate-3-sulfate Taurochenodeoxycholate-3-sulfate conjugate Ethanesulfonic acid; 2-(((3alpha;5beta;7alpha)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl)am ino)-; (S)- |
| Molecular Weight | 579.77 |
| Formula | C26H45NO9S2 |
| IUPAC | 2-[[(4R)-4-[(3R;5R;7R;10S;13R;17R)-7-hydroxy-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(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)C |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0002486 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|