Substrate
/
Generation 1
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
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Generation 1
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(<i>s</i>) -phenylalanine methyl ester
COC(=O)C(N)Cc1ccccc1
CHEBI
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Description
▾
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
Select a metabolite to form the next generation.
hydrolysis
Probability 0.82
0.82
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Methanol
hydrolysis
Probability 0.82
0.82
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hydrolysis
Probability 0.82
0.82
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L-phenylalanine-13c6
dealkylation
Probability 0.28
0.28
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Formaldehyde
dealkylation
Probability 0.28
0.28
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Methanol
Showing 5 of 64 metabolites
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