Substrate
/
Generation 1
/
Generation 2
XenoSite
Alanylhistidine
CC(N)C(=O)NC(Cc1cnc[nH]1)C(=O)O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
CC(N)C(=O)NC(CC12NC=NC1O2)C(=O)O
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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
Show metabolites
CC(N)C=O
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.46
0.46
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Isopropylamine
dehydration
Probability 0.46
0.46
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15o
hydrogenation
Probability 0.46
0.46
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(2<i>r</i>)-2-azanylpropan-1-ol
oxygen reduction
Probability 0.46
0.46
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(2<i>r</i>)-2-azanylpropan-1-ol
dealkylation
Probability 0.16
0.16
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Methylglyoxal
Showing 5 of 27 metabolites
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