Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(=O)OC1CC=C2CCNC2C1c1cc2c(cc1C(=O)O)OCO2
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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
Show metabolites
CC(=O)OC1CC=C2CCNC2C1c1cc(OC=O)c(O)cc1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C(O)Oc1cc(C2C(OC(C)=O)CC=C3CCNC32)c(C(=O)O)cc1O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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glutathionation · 0.20