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(C2)NC=CS1(=O)=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)C1=CC2OC23CC2=C(C(=O)C3=N1)S(=O)(=O)C=CN2
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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.
protein
Probability 0.32
0.32
glutathionation
Probability 0.28
0.28
glutathionation
Probability 0.21
0.21
dna
Probability 0.07
0.07
dna
Probability 0.07
0.07
Showing 5 of 12 metabolites
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