Substrate
/
Generation 1
/
Generation 2
XenoSite
Atrazine
CCNc1nc(Cl)nc(NC(C)C)n1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCNC1=NC2(Cl)ON2C(NC(C)C)=N1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
CCNC1=NC2(Cl)ON2C(NC(C)CO)=N1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.50
0.50
protein
Probability 0.30
0.30
dna
Probability 0.10
0.10
cyanide
Probability 0.06
0.06