Substrate
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Generation 1
/
Generation 2
XenoSite
Bdsf
CCCCCCCCCC=CC(=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
Generation 1
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CCCCCCCCCC1OC1C(=O)O
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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
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CC(=O)CCCCCCCC1OC1C(=O)O
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.50
0.50
dehydration
Probability 0.50
0.50
15o
hydrogenation
Probability 0.50
0.50
oxygen reduction
Probability 0.50
0.50
dealkylation
Probability 0.11
0.11
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