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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Generation 3
Show metabolites
Butyric acid
CCCC(=O)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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.09
0.09
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Ethane
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
dealkylation
Probability 0.09
0.09
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Glycolic acid
Showing 5 of 7 metabolites
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