Substrate
/
Generation 1
XenoSite
Arginylaspartic acid
N=C(N)NCCCC(N)C(=O)NC(CC(=O)O)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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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Aspartic acid-13c4,15n
NC(CC(=O)O)C(=O)O
CHEBI
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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 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.07
0.07
((sup 13)n)ammonia
dealkylation
Probability 0.07
0.07
Oxaloacetic acid
dealkylation
Probability 0.07
0.07
Malate
dealkylation
Probability 0.04
0.04
(11c)acetic acid
dealkylation
Probability 0.04
0.04
Oxamic acid
Showing 5 of 41 metabolites
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