Substrate
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Generation 1
XenoSite
Alpha-parinarate
CCC=CC=CC=CC=CCCCCCCCC(=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
Generation 1
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CCC=CC=CC=CC1OC1CCCCCCCC(=O)[O-]
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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.
hydrogenation
Probability 0.27
0.27
hydrogenation
Probability 0.16
0.16
hydrogenation
Probability 0.15
0.15
epoxide opening
Probability 0.13
0.13
epoxide opening
Probability 0.13
0.13
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