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=C1C=c2c(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=c2c(C(O)CNCCCCCCOCC(F)(F)C34C=CC=CC3O4)ccc(O)c2=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.29
0.29
protein
Probability 0.27
0.27
glutathionation
Probability 0.11
0.11
dna
Probability 0.09
0.09
dna
Probability 0.07
0.07
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