Substrate
/
Generation 1
/
Generation 2
XenoSite
Acequinocyl
CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
Generation 1
Show metabolites
CCCCCCCCCCCCc1c(OC(C)=O)c(=O)c2c(=O)ccc(=O)c=2c1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
Show metabolites
CCCCCCCCCCCCC12OC1(OC(C)=O)C(=O)C1=C(C(=O)C=CC1=O)C2=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
stable oxygenation
Loading…
unstable oxygenation
Loading…
dehydrogenation
Loading…
reduction
Loading…
hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.55
0.55
Loading…
(11c)acetic acid
hydrolysis
Probability 0.55
0.55
Loading…
An oxidized polyvinyl alcohol
hydrolysis
Probability 0.55
0.55
Loading…
hydrogenation
Probability 0.16
0.16
Loading…
hydrogenation
Probability 0.16
0.16
Loading…
Showing 5 of 119 metabolites
Show all