Substrate
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Generation 1
XenoSite
1-phenyl-1-propanamine
CCC(N)c1ccccc1
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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Phenylpropanol
CCC(O)c1ccccc1
CHEBI
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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 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.18
0.18
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hydroxylation
Probability 0.13
0.13
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hydroxylation
Probability 0.09
0.09
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Phenylacetylcarbinol
hydroxylation
Probability 0.09
0.09
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Erythro-1-phenylpropane-1,2-diol
dealkylation
Probability 0.08
0.08
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Ethane
Showing 5 of 51 metabolites
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