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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N=C1C(N)=NC=NC1=[N+](C(=O)O)C1OC(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.
hydrolysis
Probability 0.29
0.29
hydrolysis
Probability 0.29
0.29
Carbonic acid
hydrolysis
Probability 0.29
0.29
Formic acid
epoxidation
Probability 0.12
0.12
epoxidation
Probability 0.08
0.08
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