Substrate
/
Generation 1
/
Generation 2
XenoSite
Archaetidylethanolamine
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC[NH3+])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
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
Show metabolites
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(=O)([O-])OCC(=O)O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(COCC1OC1(C)CCC=C(C)CCC=C(C)CCC=C(C)C)COP(=O)([O-])OCC(=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
Select a metabolite to form the next generation.
dna
Probability 0.02
0.02
glutathionation
Probability 0.01
0.01
dna
Probability 0.01
0.01
protein
Probability 0.01
0.01
cyanide
Probability 0.00
0.00
Showing 5 of 8 metabolites
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