Substrate
/
Generation 1
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Generation 2
XenoSite
Adenylyl-molybdopterin
Nc1nc2c(c(=O)[nH]1)NC1C(S)=C(S)C(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OC1N2
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
Nc1nc2c(c(=O)[nH]1)NC1C(S)=C(S)C(CO[PH](=O)O)OC1N2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
Nc1nc(NC2OC(CO[PH](=O)O)C(S)=C(S)C2O)c(N)c(=O)[nH]1
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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 0.09
0.09
protein
Probability 0.07
0.07
glutathionation
Probability 0.04
0.04
glutathionation
Probability 0.03
0.03