Substrate
/
Generation 1
XenoSite
Aristada
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
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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CCCCCCCCCCCC(=O)OCO
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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.
hydrolysis
Probability 0.88
0.88
Dodecanoic acid
hydrolysis
Probability 0.88
0.88
Dodecanal
hydrolysis
Probability 0.88
0.88
Methandiol
dealkylation
Probability 0.15
0.15
Formaldehyde
dealkylation
Probability 0.15
0.15
Dodecanoic acid
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