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
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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.
hydrolysis
Probability 0.88
0.88
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Dodecanoic acid
hydrolysis
Probability 0.88
0.88
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Dodecanal
hydrolysis
Probability 0.88
0.88
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Methandiol
dealkylation
Probability 0.15
0.15
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Formaldehyde
dealkylation
Probability 0.15
0.15
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Dodecanoic acid
Showing 5 of 115 metabolites
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