Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Benazeprilat
O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCc2ccccc21
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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NC1CCc2ccccc2N(CC(=O)O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC(C=O)CCC1=CC(=O)C=CC1=NCC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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NC(C=O)CCC1=CC(=O)C=CC12ON2CC(=O)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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.38
0.38
dealkylation
Probability 0.38
0.38
Oxalic acid
dealkylation
Probability 0.38
0.38
Glycolic acid
dealkylation
Probability 0.38
0.38
Glyoxylic acid
dehydration
Probability 0.36
0.36
Showing 5 of 77 metabolites
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