Substrate
/
Generation 1
/
Generation 2
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
CHEBI
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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
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C=O)Nc1nc(N)nc2c1=NC(=O)N=2
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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 0.30
0.30
protein
Probability 0.25
0.25
dna
Probability 0.15
0.15
cyanide
Probability 0.06
0.06