Substrate
/
Generation 1
XenoSite
2,4-dinitrophenol
O=[N+]([O-])c1ccc([O-])c([N+](=O)[O-])c1
CHEBI
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Description
▾
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 1
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Nitrite
O=N[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.
dehydration
Probability 0.07
0.07
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Aminooxidanide
dehydration
Probability 0.07
0.07
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15o
hydrogenation
Probability 0.07
0.07
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nitrogen reduction
Probability 0.07
0.07
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((sup 13)n)ammonia
nitrogen reduction
Probability 0.07
0.07
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((sup 13)n)ammonia
Showing 5 of 12 metabolites
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