Substrate
/
Generation 1
/
Generation 2
XenoSite
Carbamazepine
NC(=O)N1c2ccccc2C=Cc2ccccc21
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 1
Show metabolites
C=C1C=Cc2ccccc2N(C(N)=O)C1=CC=CO
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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
C=C1C=Cc2ccccc2N(C(N)=O)C12OC2C=CO
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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
Select a metabolite to form the next generation.
hydrolysis
Probability 0.15
0.15
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hydrolysis
Probability 0.15
0.15
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Carbamic acid
hydrolysis
Probability 0.15
0.15
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Formamide
dealkylation
Probability 0.10
0.10
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hydroxylation
Probability 0.10
0.10
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Showing 5 of 104 metabolites
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