Glycodeoxycholic Acid (2,2,4,4-d4)

  • Deuterium
  • CAT Number: C000550
  • CAS Number: 1069132-37-1
  • Molecular Formula: C₂₆H₃₉D₄NO₅
  • Molecular Weight: 453.65
  • Purity: ≥95%
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Glycodeoxycholic Acid (2,2,4,4-d4)(Cat No.: C000550) serves as an internal standard in analytical chemistry, particularly in the quantitative profiling of bile acids present in biofluids and tissues. This compound is isotopically labeled with deuterium (2,2,4,4-d4), making it useful as a reference substance for accurate and precise measurements in mass spectrometry and other analytical techniques. By using Glycodeoxycholic Acid (2,2,4,4-d4) as an internal standard, researchers can quantitatively determine the levels of various bile acids in biological samples, aiding in studies related to liver function, metabolism, and gastrointestinal health.

Catalog Number C000550
CAS Number 1069132-37-1
Synonyms

N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine; Glycodeoxycholic Acid-d4; Glycodeoxycholic-2,2,4,4-d4 Acid; N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine

Molecular Formula

C₂₆H₃₉D₄NO₅

Purity 95%
Solubility DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Storage -20°C, Inert atmosphere
IUPAC Name 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
InChI InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2
InChIKey WVULKSPCQVQLCU-JHVXYEQYSA-N
SMILES CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

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