Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
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
About this model
Generation 1
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O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCC2=C1C=CC1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)CN1C(=O)C(NC(CCC2=CC=CC(=O)C2=O)C(=O)O)CCC2=C1C=CC1OC21
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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 3
Show metabolites
O=C(O)CN1C(=O)C(NC(CCC2=CC=CC(O)C2=O)C(=O)O)CCC2=C1C=CC1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 4
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Glycolic acid
O=C(O)CO
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 5
Maximum generation reached — metabolites here can't start another hop.
glucuronidation
Probability 0.78
0.78
glucuronidation
Probability 0.49
0.49