Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Adenylylselenate
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O[Se](=O)(=O)O)C(O)C1O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Adenine
Nc1ncnc2[nH]cnc12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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Nc1nc[n+]([O-])c2[nH]cnc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC12N=C[N+]([O-])=C3[NH+]=C[N-]C31O2
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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
Select a metabolite to form the next generation.
nitrogen reduction
Probability 0.63
0.63
nitrogen reduction
Probability 0.63
0.63
15o
dealkylation
Probability 0.47
0.47
((sup 13)n)ammonia
dealkylation
Probability 0.47
0.47
dealkylation
Probability 0.42
0.42
Showing 5 of 43 metabolites
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