Substrate
/
Generation 1
/
Generation 2
XenoSite
Trimellitic anhydride
O=C(O)c1ccc2c(c1)C(=O)OC2=O
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=C(O)C1=CC2OC23C(=O)OC(=O)C3=C1
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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 2
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O=CC12OC1C=C(C(=O)O)C=C2C(=O)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 0.57
0.57
glutathionation
Probability 0.39
0.39
protein
Probability 0.35
0.35
glutathionation
Probability 0.28
0.28
dna
Probability 0.21
0.21
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