Substrate
/
Generation 1
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Generation 2
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
Generation 2
Show metabolites
C=CC1N=C(C=c2[nH]c(=CC3=NC(=Cc4[nH]cc(C5CO5)c4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)C(C2CO2)=C1C
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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.
dna
Probability 0.32
0.32
dna
Probability 0.29
0.29
dna
Probability 0.18
0.18
dna
Probability 0.15
0.15
glutathionation
Probability 0.15
0.15
Showing 5 of 20 metabolites
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