Substrate
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Generation 1
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Generation 2
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Generation 3
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
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
Molybdopterin
Nc1nc2c(c(=O)[nH]1)NC1C(S)=C(S)C(COP(=O)(O)O)OC1N2
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
Nc1nc2c(c(=O)[nH]1)=NC1C(S)=C(S)C(COP(=O)(O)O)OC1N=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
N=C1N=C(N)NC(=O)C1=NC1C(=O)OC(COP(=O)(O)O)C(S)=C1S
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.09
0.09
protein
Probability 0.06
0.06
glutathionation
Probability 0.03
0.03
glutathionation
Probability 0.03
0.03