Substrate
/
Generation 1
/
Generation 2
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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Nc1ncnc2c1=NC(=O)N=2
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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)C1=NC(=O)N=C1N=C=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 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.13
0.13
epoxidation
Probability 0.07
0.07
nitrogen oxidation
Probability 0.04
0.04
nitrogen oxidation
Probability 0.04
0.04
dealkylation
Probability 0.03
0.03
((sup 13)n)ammonia
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