3-Oxo-7-hydroxychol-4-enoic acid

• CAT Number: R025076
• CAS Number: 14772-95-3
• Molecular Formula: C24H36O4
• Molecular Weight: 388.54
• Purity: ≥95%
• Synonyms: (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• InChI: InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChIKey: CFLVYJJIZHNITM-NLXMLWGDSA-N
• SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C

3-Oxo-7-hydroxychol-4-enoic acid is an endogenous metabolite. 3-Oxo-7-hydroxychol-4-enoic acid may be an important indicator of a poor prognosis in hepatobiliary disease[1].

Reference

[1]. Kimura A, et al. Urinary 7alpha-hydroxy-3-oxochol-4-en-24-oic and 3-oxochola-4,6-dien-24-oic acids in infants with cholestasis. J Hepatol. 1998;28(2):270-279.
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