Substrate
/
Generation 1
XenoSite
Apah
NCCCNc1cc(C(=O)O)ccc1O
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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Bala
NCCC(=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 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.14
0.14
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((sup 13)n)ammonia
dealkylation
Probability 0.14
0.14
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Malonic acid
dealkylation
Probability 0.14
0.14
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Hydracrylic acid
dealkylation
Probability 0.14
0.14
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Malonic semialdehyde
nitrogen oxidation
Probability 0.07
0.07
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Showing 5 of 34 metabolites
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