Substrate
/
Generation 1
/
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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CC(O)CNC(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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Lactic acid
CC(O)C(=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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.22
0.22
Formaldehyde
dealkylation
Probability 0.22
0.22
Methanol
dealkylation
Probability 0.22
0.22
Glycolic acid
hydroxylation
Probability 0.07
0.07
(<i>s</i>)-glyceric acid
hydroxylation
Probability 0.04
0.04
Showing 5 of 24 metabolites
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