Substrate
/
Generation 1
XenoSite
Acide aminocaproque
NCCCCCC(=O)O
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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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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Adipic acid
O=C(O)CCCCC(=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.
dehydration
Probability 0.06
0.06
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15o
dehydration
Probability 0.06
0.06
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5-carboxypentanol
hydrogenation
Probability 0.06
0.06
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oxygen reduction
Probability 0.06
0.06
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dealkylation
Probability 0.04
0.04
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Valeric acid
Showing 5 of 31 metabolites
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