3-Hydroxybutyryl-CoA
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3-Hydroxybutyryl-CoA
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CAS No:
2871-66-1
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Formula:
C25H42N7O18P3S
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Chemical Name:
3-Hydroxybutyryl-CoA
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Synonyms:
Coenzyme A,S-(3-hydroxybutanoate);Coenzyme A,S-(3-hydroxybutyrate);β-Hydroxybutyryl coenzyme A;3-Hydroxybutyryl-CoA;β-Hydroxybutyryl CoA;887906-35-6;1013909-94-8
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CAS No:
Description
3-hydroxybutanoyl-CoA is a hydroxybutanoyl-CoA having 3-hydroxybutanoyl as the S-acyl component. It has a role as a mouse metabolite. It is a 3-hydroxyacyl-CoA and a hydroxybutanoyl-CoA. It derives from a butyryl-CoA and a 3-hydroxybutyric acid. It is a conjugate acid of a 3-hydroxybutanoyl-CoA(4-).
3-Hydroxybutyryl-CoA Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Computed Properties
Molecular Weight:853.6
XLogP3:-5.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:22
Exact Mass:853.15198968
Monoisotopic Mass:853.15198968
Topological Polar Surface Area:409
Heavy Atom Count:54
Complexity:1450
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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