Substrate
/
Generation 1
/
Generation 2
XenoSite
Nalidixic acid
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C=C1N=c2c(c(=O)c(C(=O)O)cn2CC)=CC1=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
Show metabolites
C=C1CC=c2c(=O)c(C(=O)O)cn(CC)c2=N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.94
0.94
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00