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+]=2C1OC(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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NC12ON1C=NC1=[N+](C3OC(CO)C(O)C3O)C(=O)N=C12
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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.
nitrogen reduction
Probability 0.12
0.12
dealkylation
Probability 0.10
0.10
((sup 13)n)ammonia
dealkylation
Probability 0.10
0.10
epoxidation
Probability 0.09
0.09
hydrolysis
Probability 0.06
0.06
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