Substrate
/
Generation 1
XenoSite
Abediterol
O=c1ccc2c(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1
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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NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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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.
nitrogen oxidation
Probability 0.10
0.10
nitrogen oxidation
Probability 0.10
0.10
dealkylation
Probability 0.09
0.09
((sup 13)n)ammonia
dealkylation
Probability 0.09
0.09
dealkylation
Probability 0.09
0.09
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