Ligand 3-oxo-5beta-cholanic acid

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Basic Ligand Information

Molecular Structure
Picture of 3-oxo-5beta-cholanic acid (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C24H38O3
3-oxo-5beta-cholanic acid
KIQFUORWRVZTHT-OPTMKGCMSA-N
Synonyms:
3-keto-5-beta-cholanoate, 3-keto-beta-cholanoic acid, 3-ketolithocholate, 3-oxo-5-beta-cholanic acid, 3-oxo-5-beta-cholanoate, 3-oxo-5beta-24-cholan-oic acid, 3-oxo-5beta-cholan-24-oate, 3-oxo-5beta-cholan-24-oic acid, 3-oxo-5beta-cholanate, 3-oxo-5beta-cholanoate, 3-oxolithocholate, 5-beta-cholan-3-one-24-oic acid, 5beta-cholan-3-one-24-oic acid, 5beta-cholanic acid-3-one

Roles as Enzyme Ligand

In Vivo Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3alpha-hydroxy-5beta-cholanate + NAD+ = 3-oxo-5beta-cholanate + NADH
show the reaction diagram
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-

Substrate in Enzyme-catalyzed Reactions (5 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-oxo-5beta-cholan-24-oic acid + acceptor = ? + reduced acceptor
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (13 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3beta-hydroxy-5beta-cholanoate + NAD+ = 3-oxo-5beta-cholanoate + NADH
show the reaction diagram
-
-
lithocholic acid + NAD(P)+ = 3-oxo-5beta-cholan-24-oic acid + NAD(P)H
show the reaction diagram
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5beta-hydroxy-5beta cholanic acid + NADP+ = 3-oxo-5-beta-cholanic acid + NADPH + H+
show the reaction diagram
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-
3beta-hydroxy-5beta-cholan-24-oic acid + NAD+ = 3-oxo-5beta-cholan-24-oic acid + NADH + H+
show the reaction diagram
-
-
3alpha-hydroxy-5beta-cholanate + NAD+ = 3-oxo-5beta-cholanate + NADH
show the reaction diagram
-

Inhibitor in Enzyme-catalyzed Reactions (5 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
80-90% inhibition at equimolar amounts
-

Enzyme Kinetic Parameters

KM Value (3 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0007
0.00075
-

Ki Value (3 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.26
-
pH 6.5, 37°C, 5 mM MgCl2

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.00011
-
in 0.1 M potassium phosphate, pH 7.4, at 25°C

References & Links

Links to other databases for 3-oxo-5beta-cholanic acid

ChEBI
PubChem
ChEBI
PubChem