Taurocholic acid-d4 sodium

• CAT Number: S000786
• CAS Number: 2410279-93-3
• Molecular Formula: C26H40D4NNaO7S
• Molecular Weight: 541.71
• Purity: ≥95%
• Target: Endogenous Metabolite
• IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
• InChI: InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1/i8D2,12D2
• InChIKey: JAJWGJBVLPIOOH-QPNQQDKZSA-M
• SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

Taurocholic acid-d4 sodium（Cat No.:S000786） is a specialized form of taurocholic acid, a primary bile acid crucial for lipid digestion and absorption. The “d4” designation indicates that four hydrogen atoms in the taurocholic acid molecule are replaced with deuterium, a stable isotope of hydrogen. This isotopic labeling enables precise tracking of taurocholic acid metabolism and its incorporation into bile acid pathways using advanced analytical techniques like mass spectrometry. Taurocholic acid-d4 sodium serves as a valuable tool in metabolic studies, aiding in elucidating pathways, understanding cellular physiology, and investigating disorders related to bile acid metabolism, such as cholestatic liver diseases.