Substrate
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Generation 1
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Generation 2
XenoSite
Aminohippuric acid
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
Generation 1
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NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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NC1=CC=C(C(=O)NCC(=O)O)C(O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.37
0.37
dealkylation
Probability 0.37
0.37
Oxalic acid
dealkylation
Probability 0.37
0.37
Glycolic acid
dealkylation
Probability 0.37
0.37
Glyoxylic acid
dealkylation
Probability 0.02
0.02
((sup 13)n)ammonia
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