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
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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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NC1=NC=NC23ON2C(=O)N=C13
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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 0.26
0.26
epoxidation
Probability 0.15
0.15
dealkylation
Probability 0.12
0.12
epoxidation
Probability 0.08
0.08
nitrogen oxidation
Probability 0.08
0.08
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