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
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
Show metabolites
N=C1C(=[N+](C(=O)O)C2OC(CO)C(O)C2O)N=CN2OC12N
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Show metabolites
NC12O[N+]1=CN=C(N(C(=O)O)C1OC(CO)C(O)C1O)C21NO1
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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 0.31
0.31
glucuronidation
Probability 0.16
0.16
glucuronidation
Probability 0.15
0.15
glucuronidation
Probability 0.08
0.08