Substrate
/
Generation 1
XenoSite
Acide aminocaproque
NCCCCCC(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.06
0.06
15o
dehydration
Probability 0.06
0.06
5-carboxypentanol
hydrogenation
Probability 0.06
0.06
oxygen reduction
Probability 0.06
0.06
dealkylation
Probability 0.04
0.04
Valeric acid
Showing 5 of 28 metabolites
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