Substrate
/
Generation 1
/
Generation 2
XenoSite
Azathymidine
Cc1nn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O
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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CC(=NN(C(N)=O)C1CC(O)C(CO)O1)C(=O)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 2
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Carbamic acid
NC(=O)O
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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.10
0.10
((sup 13)n)ammonia
hydrolysis
Probability 0.10
0.10
Carbonic acid
hydrolysis
Probability 0.10
0.10
Formic acid
nitrogen oxidation
Probability 0.03
0.03
Hydroxycarbamic acid
nitrogen oxidation
Probability 0.03
0.03
Showing 5 of 18 metabolites
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