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
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Generation 1
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Nc1ncnc2c1N1OC1N2C1OC(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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Nc1ncnc2c1=NOCN=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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N=C1N=CN=C(N)C1=NOC(=O)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.
hydrogenation
Probability 0.24
0.24
hydrogenation
Probability 0.24
0.24
hydrolysis
Probability 0.18
0.18
hydrolysis
Probability 0.18
0.18
Carbonic acid
hydrolysis
Probability 0.18
0.18
Formic acid
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