Substrate
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Generation 1
/
Generation 2
XenoSite
Arachidonoylserotonin
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
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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(5-hydroxyindol-3-yl)acetaldehyde
O=CCc1c[nH]c2ccc(O)cc12
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=CCc1c[nH]c2c1=CC(=O)C(=O)C=2
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.53
0.53
dehydration
Probability 0.53
0.53
15o
hydrogenation
Probability 0.53
0.53
oxygen reduction
Probability 0.53
0.53
dehydration
Probability 0.41
0.41
15o
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