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
About this model
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Generation 1
Show metabolites
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
Show metabolites
NCc1ccc(N)cc1
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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.
dealkylation
Probability 0.30
0.30
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((sup 13)n)ammonia
dealkylation
Probability 0.30
0.30
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Gamma-aminobenzoic acid
dealkylation
Probability 0.30
0.30
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P-aminobenzaldehyde
dealkylation
Probability 0.30
0.30
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nitrogen oxidation
Probability 0.14
0.14
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Showing 5 of 42 metabolites
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