Substrate
/
Generation 1
/
Generation 2
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
CC(C=O)Nc1nc(N)nc2c1ncn2C1C=CC(C(=O)O)C1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C=O)Nc1nc(N)nc2c1ncn2C1CC(C(=O)O)C2OC21
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
Propanal
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
Showing 5 of 7 metabolites
Show all