(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid
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(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid
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CAS No:
4185-00-6
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Formula:
C24H38O4
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Chemical Name:
(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,7-hydroxy-3-oxo-,(5β,7α)-;5β-Cholan-24-oic acid,7α-hydroxy-3-oxo-;5β-Cholanic acid,7α-hydroxy-3-oxo-;(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid;7α-Hydroxy-3-oxo-5β-cholanoic acid;7α-Hydroxy-3-oxo-5β-cholan-24-oic acid;3-Oxo-7α-hydroxycholan-24-oic acid;7α-Hydroxy-3-oxo-5β-cholanic acid;3-Oxochenodeoxycholic acid;3-keto-7α-Hydroxy-5β-cholanic acid;3-Oxo-7α-hydroxy-5β-cholanic acid
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CAS No:
Description
ChEBI: A 3-oxo steroid that is chenodeoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone.
Solid
7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid is a 3-oxo steroid that is chenodeoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone. It has a role as a human metabolite. It is a bile acid, a monohydroxy-5beta-cholanic acid, a 7alpha-hydroxy steroid and a 3-oxo-5beta-steroid. It is a conjugate acid of a 7alpha-hydroxy-3-oxo-5beta-cholan-24-oate.
(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid Use and Manufacturing
3-Oxo-7a-hydroxy-5β-cholanoic Acid is a keto bile acid derivative.
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:390.6
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:390.27700969
Monoisotopic Mass:390.27700969
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:645
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid
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