Substrate
/
Generation 1
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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Generation 1
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4-aminobenzamide
NC(=O)c1ccc(N)cc1
CHEBI
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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 2
Select a metabolite to form the next generation.
nitrogen oxidation
Probability 0.12
0.12
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nitrogen oxidation
Probability 0.12
0.12
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dealkylation
Probability 0.04
0.04
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((sup 13)n)ammonia
dealkylation
Probability 0.04
0.04
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P-hydroxybenzamide
hydrogenation
Probability 0.03
0.03
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Showing 5 of 7 metabolites
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