Substrate
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Generation 1
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Generation 2
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Generation 3
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I)Nc1c(I)cc(I)c(C(=O)[O-])c1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1O)NC1=C(I)C(C(=O)[O-])=C(I)C2OC12I
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C(CCCCC(=O)NC1=C(I)C(C(=O)[O-])=C(I)C2OC12I)N=C1C(=O)C(C(=O)[O-])=C(I)C=C1I
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.33
0.33
dealkylation
Probability 0.33
0.33
dealkylation
Probability 0.20
0.20
dealkylation
Probability 0.20
0.20
dealkylation
Probability 0.17
0.17
Showing 5 of 6 metabolites
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