Taurochenodeoxycholic Acid-d5 (Major)

• CAT Number: R057802
• CAS Number: 516-35-8
• Molecular Formula: C₂₆H₄₀D₅NO₆S
• Molecular Weight: 504.73
• Purity: ≥95%
• Synonyms: 2-[[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic Acid-d5; N-(3α,7α-dihydroxy-5β-cholan-24-oyl)taurine-d5; 12-Deoxycholyltaurine-d5; 12-Desoxycholyltaurine-d5; 3α,7α-Dihydroxy-N-(2-sulfoethyl)-5β-cholan-24-amide-d5; Chenodeoxycholy
• Target: Metabolic Enzyme/Protease
• Storage: Store at -20°C
• IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-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
• InChI: InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
• InChIKey: BHTRKEVKTKCXOH-BJLOMENOSA-N
• SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Taurochenodeoxycholic acid-d5 is a deuterated form of taurochenodeoxycholic acid, with five hydrogen atoms replaced by deuterium. This compound is used in research to study bile acid metabolism and liver function. The deuterium labeling allows for precise tracking of the compound in metabolic studies using mass spectrometry and NMR spectroscopy. Taurochenodeoxycholic acid is a bile acid derivative involved in the emulsification and absorption of dietary fats, and its deuterated version aids in understanding its metabolic pathways, interactions with bile acid transporters, and its role in various liver diseases.