Substrate
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Generation 1
XenoSite
Adipiodone dianion
O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I)Nc1c(I)cc(I)c(C(=O)[O-])c1I
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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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O=C(CCCCC(=O)NC12OC1(I)C(C(=O)[O-])=C(I)C=C2I)Nc1c(I)cc(I)c(C(=O)[O-])c1I
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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 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.61
0.61
hydrolysis
Probability 0.61
0.61
hydrolysis
Probability 0.61
0.61
hydrolysis
Probability 0.60
0.60
hydrolysis
Probability 0.60
0.60
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