Substrate
/
Generation 1
XenoSite
Allopurinol
Oc1ncnc2[nH]ncc12
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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OC12N=CN=C3NN=CC31O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
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epoxide opening
Probability 0.40
0.40
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epoxide opening
Probability 0.40
0.40
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epoxide opening
Probability 0.37
0.37
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epoxide opening
Probability 0.37
0.37
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hydrogenation
Probability 0.30
0.30
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Showing 5 of 36 metabolites
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