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4651-67-6

4651-67-6 structural image
Product Name: 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
Formula: C24H38O4
Synonyms: 5β-cholanoic acid-3α-ol-7-one
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COMPUTED DESCRIPTORS

Molecular Weight 390.6 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 390.27700969 g/mol
Monoisotopic Mass 390.27700969 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 645
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

7-oxolithocholic acid is a bile acid that is lithocholic acid carrying an additional oxo substituent at position 7. It has a role as a human metabolite. It is a bile acid, a monohydroxy-5beta-cholanic acid, an oxo-5beta-cholanic acid and a 3alpha-hydroxy steroid. It is functionally related to a lithocholic acid. It is a conjugate acid of a 7-oxolithocholate.

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