Substrate
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Generation 1
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Generation 2
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Generation 3
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
About this model
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Generation 1
Show metabolites
CCCCC12Oc3ccccc3C1(C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1)O2
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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
CCCCC12Oc3ccccc3C1(C(=O)c1cc(I)c(OCC=O)c(I)c1)O2
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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
Show metabolites
Glyoxylic acid
O=CC(=O)O
CHEBI
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Description
▾
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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.32
0.32
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(11c)acetic acid
dehydration
Probability 0.32
0.32
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15o
hydrogenation
Probability 0.32
0.32
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Glycolic acid
oxygen reduction
Probability 0.32
0.32
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Glycolic acid
hydrolysis
Probability 0.02
0.02
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15o
Showing 5 of 19 metabolites
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