Glycochenodeoxycholic acid 3-sulfate-d5 disodium

• CAT Number: S000796
• Molecular Formula: C26H36D5NNa2O8S
• Molecular Weight: 578.68
• Purity: ≥95%
• IUPAC Name: disodium;2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-7-hydroxy-10,13-dimethyl-3-sulfonatooxy-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
• InChI: InChI=1S/C26H43NO8S.2Na/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28;;/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;;/m1../s1/i8D2,12D2,17D
• InChIKey: MJXWPLXHDUSUKI-ASGDLOISSA-L
• SMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]

Glycochenodeoxycholic acid 3-sulfate-d5 disodium（Cat No.:S000796） is a specialized form of glycochenodeoxycholic acid 3-sulfate (GCDCS), a bile acid sulfate involved in bile acid metabolism and liver function. The “3-sulfate-d5 disodium” designation indicates that five hydrogen atoms in the GCDCS molecule are replaced with deuterium, a stable isotope of hydrogen, and it exists as a disodium salt. This isotopic labeling enables precise tracking of GCDCS metabolism and its incorporation into bile acid pathways using advanced analytical techniques like mass spectrometry.