Substrate
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Generation 1
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Generation 2
XenoSite
Adpribose
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O
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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Vidarabine phosphate
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC12N=CN=C3N(C4OC(COP(=O)(O)O)C(O)C4O)C=NC31O2
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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 3
Select a metabolite to form the next generation.
dephosphorylation
Probability 0.40
0.40
dephosphorylation
Probability 0.40
0.40
Phosphonic acid
dealkylation
Probability 0.29
0.29
((sup 13)n)ammonia
dealkylation
Probability 0.29
0.29
hydrogenation
Probability 0.22
0.22
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