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
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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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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
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NC1=NC2=NC3OC(COP(=O)(O)O)C(S)=C(S)C3N3OC23C(=O)N1
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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 4
Select a metabolite to form the next generation.
dephosphorylation
Probability 0.35
0.35
dephosphorylation
Probability 0.35
0.35
Phosphonic acid
nitrogen reduction
Probability 0.19
0.19
sulfur oxidation
Probability 0.06
0.06
sulfur oxidation
Probability 0.06
0.06
Showing 5 of 80 metabolites
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