Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
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
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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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
Generation 3
Show metabolites
CC(C=O)NC1=NC(N)=NC(=N)C1=NC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Show metabolites
*OC(=O)N=C1C(=N)N=C(N)N=C1NC(C)C=O |$GlcA;;;;;;;;;;;;;;;;;$|
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glucuronidation · 0.99