12-Ketodeoxycholic acid

• CAT Number: I015505
• CAS Number: 5130-29-0
• Molecular Formula: C24H38O4
• Molecular Weight: 390.56
• Purity: ≥95%
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• InChI: InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1
• InChIKey: CVNYHSDFZXHMMJ-VPUMZWJWSA-N
• SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)O)C)C

12-Ketodeoxycholic acid (12-Ketolithocholic acid) is a bile acid, metabolite from kidney. 12-Ketodeoxycholic acid can be a detectable marker for evidence of kidney injury[1]
Bile acids are produced from conjugation of cholesterol and its incorporation in the bile by the liver for secretion in the intestine[1].

Reference

[1]. Chen H, et al. Metabolomics insights into activated redox signaling and lipid metabolism dysfunction in chronic kidney disease progression.Redox Biol. 2016 Dec;10:168-178.
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