Substrate
/
Generation 1
XenoSite
Acetylphenylalanine
CC(=O)NC(Cc1ccccc1)C(=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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Phenylpyruvate
O=C(O)C(=O)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.
dehydration
Probability 0.43
0.43
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15o
dehydration
Probability 0.43
0.43
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Phenylpropanoate
hydrogenation
Probability 0.43
0.43
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<small>l</small>-(−)-3-phenyllactic acid
oxygen reduction
Probability 0.43
0.43
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<small>l</small>-(−)-3-phenyllactic acid
hydroxylation
Probability 0.13
0.13
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P-hydroxyphenylpyruvic acid
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