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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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
Generation 2
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NCC(O)C1=c2ccc(=O)[nH]c2=C(O)C2OC12
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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
glutathionation
Probability 0.27
0.27
dna
Probability 0.17
0.17
protein
Probability 0.12
0.12
dna
Probability 0.10
0.10
Showing 5 of 12 metabolites
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