Substrate
/
Generation 1
/
Generation 2
XenoSite
Aminohippurate
Nc1ccc(C(=O)NCC(=O)[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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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
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Nc1ccc(C(=O)NCC=O)cc1
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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(C(=O)NCC=O)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Select a metabolite to form the next generation.
n dealkylation
Probability 0.95
0.95
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((sup 13)n)ammonia
n dealkylation
Probability 0.95
0.95
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n dealkylation
Probability 0.68
0.68
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n dealkylation
Probability 0.68
0.68
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Glyoxylic acid
n dealkylation
Probability 0.68
0.68
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Glyoxal
Showing 5 of 8 metabolites
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