Substrate
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Generation 1
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Generation 2
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Generation 3
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=C1Nc2c(O)ccc(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)c2C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=CC(C(O)CNCCCCCCOCC(F)(F)c2ccccc2)=C2C1=NC(=O)C1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NCC(O)C1=C2C(=NC(=O)C3OC23)C(=O)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.27
0.27
dna
Probability 0.21
0.21
dna
Probability 0.20
0.20
glutathionation
Probability 0.20
0.20
protein
Probability 0.16
0.16
Showing 5 of 12 metabolites
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