Glycochenodeoxycholic acid-d4

For research use only. Not for therapeutic Use.

  • CAT Number: R067048
  • CAS Number: 1201918-16-2
  • Molecular Formula: C26H39D4NO5
  • Molecular Weight: 453.65
  • Purity: ≥95%
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Glycochenodeoxycholic acid-d4(Cat No.:R067048)is a deuterium-labeled derivative of glycochenodeoxycholic acid (GCDCA), a primary bile acid conjugated with glycine and involved in fat digestion and cholesterol metabolism. The incorporation of four deuterium atoms (d4) enhances its utility as an internal standard in mass spectrometry for quantitative analysis of bile acid profiles in biological samples. It plays a key role in studies related to liver function, bile acid metabolism, and gastrointestinal diseases. Glycochenodeoxycholic acid-d4 is essential for pharmacokinetic research, biomarker discovery, and understanding bile acid-related signaling pathways in metabolic and liver disorders.


CAS Number 1201918-16-2
Synonyms

2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-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

Molecular Formula C26H39D4NO5
Purity ≥95%
IUPAC Name 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-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(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/i8D2,12D2
InChIKey GHCZAUBVMUEKKP-PKIQRPOYSA-N
SMILES [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)[2H]
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