Substrate
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Generation 1
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Generation 2
XenoSite
Aspartamum
COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
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
COC(=O)C(CC12C=CC=CC1O2)NC(=O)C(N)CC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
COC(=O)C(CC12C=CC=CC1O2)NC(=O)C(O)CC(=O)O
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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.
hydrolysis
Probability 0.37
0.37
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hydrolysis
Probability 0.37
0.37
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Malate
hydrolysis
Probability 0.37
0.37
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(3<i>r</i>)-3-hydroxy-4-oxobutyric acid
dealkylation
Probability 0.00
0.00
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dealkylation
Probability 0.00
0.00
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Malate
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