Substrate
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Generation 1
XenoSite
Anthraniloyl-coa
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N
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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Adenine
Nc1ncnc2[nH]cnc12
CHEBI
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Description
▾
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
Select a metabolite to form the next generation.
nitrogen oxidation
Probability 0.17
0.17
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nitrogen oxidation
Probability 0.17
0.17
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N-hydroxyadenine
dealkylation
Probability 0.14
0.14
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((sup 13)n)ammonia
dealkylation
Probability 0.14
0.14
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nitrogen oxidation
Probability 0.13
0.13
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Showing 5 of 42 metabolites
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