Substrate
/
Generation 1
/
Generation 2
XenoSite
Aristolochic acid a
COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
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
Show metabolites
COC1=CC2OC2c2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c21)OCO3
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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=C(O)c1cc2c(c3c4c(cc([N+](=O)[O-])c13)C(O)=CC1OC41)OCO2
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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 0.66
0.66
dna
Probability 0.51
0.51
dna
Probability 0.42
0.42
glutathionation
Probability 0.40
0.40
protein
Probability 0.20
0.20
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