Chenodeoxycholic acid 3-glucuronide
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Chenodeoxycholic acid 3-glucuronide
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CAS No:
58814-71-4
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Formula:
C30H48O10
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Chemical Name:
Chenodeoxycholic acid 3-glucuronide
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Synonyms:
β-D-Glucopyranosiduronic acid,(3α,5β,7α)-23-carboxy-7-hydroxy-24-norcholan-3-yl;24-Norcholane,β-D-glucopyranosiduronic acid deriv.;(3α,5β,7α)-23-Carboxy-7-hydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid;Chenodeoxycholic acid-3-β-D-glucuronide;Chenodeoxycholic acid 3-glucuronide;76060-21-4;79252-54-3
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CAS No:
Description
Chenodeoxycholic acid 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is chenodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a human urinary metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid and a dicarboxylic acid. It derives from a chenodeoxycholic acid. It is a conjugate acid of a chenodeoxycholate 3-O-(beta-D-glucuronide)(2-).
Chenodeoxycholic acid 3-glucuronide Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glucuronides [ST0501]
Computed Properties
Molecular Weight:568.7
XLogP3:3.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:568.32474772
Monoisotopic Mass:568.32474772
Topological Polar Surface Area:174
Heavy Atom Count:40
Complexity:959
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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