Substrate
/
Generation 1
XenoSite
Anaerobilin
C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(C=C)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
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Description
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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 1
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C=CC1=C(C)C(C=C)NC1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(C=C)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
glutathionation
Probability 0.36
0.36
glutathionation
Probability 0.30
0.30
protein
Probability 0.20
0.20
protein
Probability 0.20
0.20
glutathionation
Probability 0.19
0.19
Showing 5 of 12 metabolites
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