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
CHEBI
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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
Show metabolites
C=Cc1c[nH]c(C=C2N=C(C=c3[nH]c(=CC4=NC(C=C)C(C)=C4C4CO4)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)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 0.21
0.21
glutathionation
Probability 0.12
0.12
protein
Probability 0.06
0.06
cyanide
Probability 0.00
0.00