Substrate
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Generation 1
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Generation 2
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Generation 3
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
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Generation 1
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(5-hydroxyindol-3-yl)acetaldehyde
O=CCc1c[nH]c2ccc(O)cc12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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O=CCC1=c2cc(O)ccc2=NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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O=CCC1=C2C=C(O)C=CC23ON3C1=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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.46
0.46
dehydration
Probability 0.46
0.46
15o
hydrogenation
Probability 0.46
0.46
oxygen reduction
Probability 0.46
0.46
nitrogen reduction
Probability 0.31
0.31
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