Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Actinidine
Cc1cncc2c1CCC2C
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
C=C1C(=O)N=CC2=C1CCC2C
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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
C=C(C(=O)O)C1=C(C=N)C(C)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
C=C(C(=O)O)C12CCC(C)C1(C=N)O2
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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 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.42
0.42
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hydrogenation
Probability 0.18
0.18
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hydroxylation
Probability 0.13
0.13
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dealkylation
Probability 0.09
0.09
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2-hydroxyacrylic acid
dealkylation
Probability 0.09
0.09
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Showing 5 of 47 metabolites
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