Substrate
/
Generation 1
/
Generation 2
XenoSite
Acemetacin
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)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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COc1ccc2[nH]c(C)c(CC(=O)OCC(=O)O)c2c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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COC1=Cc2c([nH]c(C)c2CC(=O)OCC(=O)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.
dna
Probability 0.64
0.64
glutathionation
Probability 0.61
0.61
glutathionation
Probability 0.26
0.26
protein
Probability 0.24
0.24
protein
Probability 0.12
0.12
Showing 5 of 8 metabolites
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