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
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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CCC(=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
Select a metabolite to form the next generation.
dealkylation
Probability 0.29
0.29
dealkylation
Probability 0.29
0.29
dealkylation
Probability 0.29
0.29
dealkylation
Probability 0.06
0.06
Propionic acid
dealkylation
Probability 0.06
0.06
Showing 5 of 15 metabolites
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