Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
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
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CCOC(=O)C1(C2=CC(=O)C(=O)C=C2)CCN(CCc2ccc(N)cc2)CC1
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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
Nc1ccc(CC(=O)O)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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
Formic acid
O=CO
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 0.07
0.07
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Methanol
dehydration
Probability 0.07
0.07
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15o
hydrogenation
Probability 0.07
0.07
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Methandiol
oxygen reduction
Probability 0.07
0.07
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Methandiol
hydrolysis
Probability 0.02
0.02
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Formaldehyde
Showing 5 of 12 metabolites
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