Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Amperozide cation
CCNC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
NC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
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
NC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)c(O)c2)CC1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
NC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C(O)=C2)c2ccc(F)cc2)CC1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.31
0.31
dna
Probability 0.24
0.24
protein
Probability 0.12
0.12
glutathionation
Probability 0.12
0.12
glutathionation
Probability 0.12
0.12
Showing 5 of 16 metabolites
Show all