4651-67-6
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.