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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Adenine
Nc1ncnc2[nH]cnc12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC1=c2nc[nH]c2=NC2ON12
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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.
dealkylation
Probability 0.48
0.48
dealkylation
Probability 0.48
0.48
dealkylation
Probability 0.27
0.27
dealkylation
Probability 0.27
0.27
nitrogen oxidation
Probability 0.15
0.15
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