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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Omega-aminoaldehydes
NCCC=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 0.60
0.60
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Propylamine
dehydration
Probability 0.60
0.60
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15o
hydrogenation
Probability 0.60
0.60
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Propanolamine
oxygen reduction
Probability 0.60
0.60
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Propanolamine
nitrogen oxidation
Probability 0.12
0.12
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Showing 5 of 30 metabolites
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