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Home > Encyclopedia > (5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid

(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid

(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid structure

(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid 

structure
  • CAS No:

    4185-00-6

  • Formula:

    C24H38O4

  • Chemical Name:

    (5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid

  • 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

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 Basic Attributes

390.564

390.56

3MY7NM9XNW

Characteristics

74.6

4.5

Solid

1.124±0.06 g/cm3(Predicted)

111-114 °C

(5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid Use and Manufacturing

Uses

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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