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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NC1=NC(=O)N=C2C1=NC(=O)N2C1OC(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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N=C1C(C(N)=NC(=O)O)=NC(=O)N1C1OC(CO)C(O)C1O
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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 0.06
0.06
dealkylation
Probability 0.06
0.06
Carbonic acid
dealkylation
Probability 0.06
0.06
<small><sup>13</small></sup>co2
hydrolysis
Probability 0.01
0.01
hydrolysis
Probability 0.01
0.01
Carbonic acid
Showing 5 of 6 metabolites
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