Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Paracetamol
CC(=O)Nc1ccc(O)cc1
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
Show metabolites
P-aminophenol
Nc1ccc(O)cc1
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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Generation 2
Show metabolites
NC12C=CC(O)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
NC12OC1C(=O)C(O)=CC2=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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.
dehydration
Probability 0.32
0.32
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dehydration
Probability 0.32
0.32
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15o
hydrogenation
Probability 0.32
0.32
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oxygen reduction
Probability 0.32
0.32
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dehydration
Probability 0.24
0.24
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Showing 5 of 41 metabolites
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