Substrate
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Generation 1
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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Acetone
CC(C)=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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.55
0.55
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Propane
dehydration
Probability 0.55
0.55
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15o
hydrogenation
Probability 0.55
0.55
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Isopropanol
oxygen reduction
Probability 0.55
0.55
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Isopropanol
hydroxylation
Probability 0.31
0.31
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Hydroxyacetone
Showing 5 of 8 metabolites
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