Substrate
/
Generation 1
/
Generation 2
XenoSite
Acebutolol
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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CCCC(=O)NC12C=CC(OCC(O)CNC(C)C)=C(C(C)=O)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
Butyric acid
CCCC(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.10
0.10
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Acetoacetic acid
hydroxylation
Probability 0.10
0.10
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Beta-hydroxybuttersaeure
dealkylation
Probability 0.09
0.09
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(11c)acetic acid
dealkylation
Probability 0.09
0.09
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An oxidized polyvinyl alcohol
dealkylation
Probability 0.09
0.09
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A polyvinyl alcohol
Showing 5 of 27 metabolites
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