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
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Generation 2
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Butanamide
CCCC(N)=O
CHEBI
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Description
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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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.34
0.34
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Butyric acid
hydrolysis
Probability 0.34
0.34
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Butanal
hydrolysis
Probability 0.34
0.34
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((sup 13)n)ammonia
hydroxylation
Probability 0.17
0.17
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Hba
hydroxylation
Probability 0.14
0.14
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Showing 5 of 26 metabolites
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