Substrate
/
Generation 1
/
Generation 2
XenoSite
Amiodaronum
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CCCCc1oc2ccccc2c1C(=O)C1=CC2(I)OC2(OCCN(CC)CC)C(I)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
(11c)acetic acid
CC(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.11
0.11
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Glycolic acid
hydrolysis
Probability 0.03
0.03
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An oxidized polyvinyl alcohol
hydrolysis
Probability 0.03
0.03
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15o
hydrogenation
Probability 0.01
0.01
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dealkylation
Probability 0.01
0.01
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Tennesine hydride
Showing 5 of 13 metabolites
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