Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Abacavir glucuronide
Nc1nc(NC2CC2)c2ncn(C3C=CC(COC4OC(C(=O)O)C(O)C(O)C4O)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
Show metabolites
Nc1nc(NC2CC2)c2nc[nH]c2n1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
NC12N=C(NC3CC3)c3nc[nH]c3N1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
NC12N=C(NC3CC3)C3=NC(=O)N=C3N1O2
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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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.12
0.12
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((sup 13)n)ammonia
dealkylation
Probability 0.12
0.12
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dealkylation
Probability 0.09
0.09
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dealkylation
Probability 0.09
0.09
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dealkylation
Probability 0.09
0.09
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Showing 5 of 41 metabolites
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