Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
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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CCOC(=O)C1(c2ccccc2)CCN(CCC2=CC=C(N)C(=O)C2=O)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCOC(=O)C1(C23C=CC=CC2O3)CCN(CCC2=CC=C(N)C(=O)C2=O)CC1
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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
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CCOC(=O)C1(C23C=CC=CC2O3)CCN(CCC2=CC=C(N)C(O)C2=O)CC1
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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 0.30
0.30
dna
Probability 0.16
0.16
protein
Probability 0.07
0.07
glutathionation
Probability 0.05
0.05
glutathionation
Probability 0.03
0.03
Showing 5 of 12 metabolites
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