For research use only. Not for therapeutic Use.
Taurochenodeoxycholate-3-sulfate is a bile salt found in urine[1].
| Catalog Number | I019389 |
| CAS Number | 67030-59-5 |
| Synonyms | 2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,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 |
| Molecular Formula | C26H45NO9S2 |
| Purity | ≥95% |
| InChI | InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
| InChIKey | GLVWZDCWCRWVFM-BJLOMENOSA-N |
| SMILES | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)C |
| Reference | [1]. Shinka T, et al. Simple and quantitative analysis of urinary sulfated tauro- and glycodihydroxycholic acids in infant with cholestasis by electrospray ionization mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Aug;855(1):104-8. |
