Substrate
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Generation 1
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Generation 2
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Generation 3
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
Show metabolites
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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Generation 2
Show metabolites
CCCC(=O)NC12C=CC(=O)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 3
Show metabolites
Butanal
CCCC=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 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.58
0.58
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Propyl carbinol
hydroxylation
Probability 0.15
0.15
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hydroxylation
Probability 0.15
0.15
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dealkylation
Probability 0.11
0.11
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Formaldehyde
dealkylation
Probability 0.11
0.11
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Propanol
Showing 5 of 17 metabolites
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