Substrate
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Generation 1
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Generation 2
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
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
Show metabolites
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
Generation 2
Show metabolites
O=C(O)CCCCC(=O)NC12OC1(I)C(C(=O)[O-])=C(I)C=C2I
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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.
protein
Probability 0.38
0.38
glutathionation
Probability 0.26
0.26
glutathionation
Probability 0.26
0.26
glutathionation
Probability 0.26
0.26
dna
Probability 0.17
0.17
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