Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Adenosine
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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N=CN(c1ncnc(N)c1O)C1OC(CO)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=C[N+](=C1N=CN=C(N)C1=O)C1OC(CO)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC1=NC=NC(=[N+](C2NO2)C2OC(CO)C(O)C2O)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
dehydration
Probability 0.39
0.39
dehydration
Probability 0.39
0.39
15o
hydrogenation
Probability 0.39
0.39
oxygen reduction
Probability 0.39
0.39
epoxidation
Probability 0.09
0.09
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