Substrate
/
Generation 1
/
Generation 2
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
Generation 1
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Nc1nc(NC2CC2)c2ncn(C3CC(C(=O)O)C4OC43)c2n1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Nc1nc(NC2CC2)c2c(n1)=[N+](C1CC(C(=O)O)C3OC31)C(=O)N=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.10
0.10
dna
Probability 0.09
0.09
glutathionation
Probability 0.07
0.07
glutathionation
Probability 0.04
0.04
protein
Probability 0.04
0.04
Showing 5 of 8 metabolites
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