Substrate
/
Generation 1
/
Generation 2
XenoSite
Azaperone
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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4-(4-fluorophenyl)-4-oxobutanoic acid
O=C(O)CCC(=O)c1ccc(F)cc1
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 2
Show metabolites
Hydracrylic acid
O=C(O)CCO
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 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.19
0.19
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Methanol
dealkylation
Probability 0.19
0.19
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Glycolic acid
dealkylation
Probability 0.19
0.19
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Glyoxylic acid
hydrogenation
Probability 0.08
0.08
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hydroxylation
Probability 0.04
0.04
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(<i>s</i>)-glyceric acid
Showing 5 of 22 metabolites
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