Substrate
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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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Hydroxycyclopropane
OC1CC1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.14
0.14
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hydroxylation
Probability 0.03
0.03
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dealkylation
Probability 0.01
0.01
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Lactaldehyde
dealkylation
Probability 0.01
0.01
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(<i>s</i>)-propane-1,2-diol
dealkylation
Probability 0.01
0.01
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Propionic acid
Showing 5 of 12 metabolites
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