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
Generation 1
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C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC3(OC3c3[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.
dna
Probability 0.46
0.46
glutathionation
Probability 0.16
0.16
glutathionation
Probability 0.15
0.15
glutathionation
Probability 0.14
0.14
dna
Probability 0.11
0.11
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