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Taurochenodeoxycholic Acid-[d5]

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General Information
Catalog: BLP-004532
CAS: 2044276-14-2
Molecular Formula: C26H40D5NO6S
Molecular Weight: 504.73

Chemical Structure

Description	Taurochenodeoxycholic Acid-[d5] is a labelled compound of Taurochenodeoxycholic Acid. Taurochenodeoxycholic acid is a bile salt formed in the liver. It solubilizes fats in the small intestine and is itself absorbed. Taurochenodeoxycholic Acid has been shown to inhibit hepatocyte apoptosis through suppression of Bid translocation to mitochondria.
Synonyms	2-[[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,3,4,4-d5]amino]-Ethanesulfonic acid
IUPAC Name	2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Related CAS	516-35-8 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
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/i8D2,14D2,18D
InChI Key	BHTRKEVKTKCXOH-CTSMKELISA-N
Purity	>98%