Substrate
/
Generation 1
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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O=C1CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.50
0.50
Ciclopropano
dehydration
Probability 0.50
0.50
15o
hydrogenation
Probability 0.50
0.50
Hydroxycyclopropane
oxygen reduction
Probability 0.50
0.50
Hydroxycyclopropane
hydroxylation
Probability 0.11
0.11
Showing 5 of 12 metabolites
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