Substrate
/
Generation 1
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Generation 2
XenoSite
Ascidiathiazone b
O=C(O)c1ccc2c(n1)C(=O)C1=C(NC=CS1(=O)=O)C2=O
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
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O=C(O)c1ccc2c(n1)C(=O)C1=C(NC=CS1(=O)=O)C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(O)c1ccc2c(n1)C(=O)C13OC1(NC=CS3(=O)=O)C2O
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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 0.04
0.04
protein
Probability 0.04
0.04
protein
Probability 0.03
0.03
dna
Probability 0.03
0.03
glutathionation
Probability 0.02
0.02
Showing 5 of 16 metabolites
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