Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Adenosine
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
N=CN(c1ncnc(N)c1O)C1OC(CO)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
N=C[N+](=C1N=CN=C(N)C1=O)C1OC(CO)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
NC1=NC=NC(=[N+](C2NO2)C2OC(CO)C(O)C2O)C1=O
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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 4
Show metabolites
[NH2+]=C1N=CN=C(N(C2NO2)C2OC(CO)C(O)C2O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 5
Maximum generation reached — metabolites here can't start another hop.
glucuronidation
Probability 0.32
0.32
glucuronidation
Probability 0.08
0.08
glucuronidation
Probability 0.04
0.04
glucuronidation
Probability 0.02
0.02