Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Adomet
C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N=C2N=CN=C(N)C2=[N+]2CO2)C(O)C1O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N=C2N=CN=C(N)C2=NOCO)C(O)C1O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.14
0.14
dealkylation
Probability 0.12
0.12
Formaldehyde
dealkylation
Probability 0.12
0.12
dealkylation
Probability 0.12
0.12
Carbonic acid
dealkylation
Probability 0.12
0.12
Formic acid
Showing 5 of 129 metabolites
Show all