Substrate
/
Generation 1
/
Generation 2
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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O=CCCCCCOCC(F)(F)c1ccccc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=CCCCCCOCC(F)(F)C1=CC2OC2C=C1
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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 0.53
0.53
dehydration
Probability 0.53
0.53
15o
hydrogenation
Probability 0.53
0.53
oxygen reduction
Probability 0.53
0.53
dealkylation
Probability 0.31
0.31
Adipic monoaldehyde
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