Substrate
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Generation 1
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Generation 2
XenoSite
Acebutolol
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CCCC(=O)NC12C=C(C(C)=O)C(OCC(O)CNC(C)C)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Butanamide
CCCC(N)=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 0.17
0.17
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Hba
dealkylation
Probability 0.09
0.09
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Acetamide
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
dealkylation
Probability 0.02
0.02
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Formaldehyde
Showing 5 of 9 metabolites
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