Substrate
/
Generation 1
XenoSite
Acryloyl-coa
C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
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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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CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(N)=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.
dephosphorylation
Probability 0.27
0.27
dephosphorylation
Probability 0.27
0.27
dephosphorylation
Probability 0.27
0.27
dephosphorylation
Probability 0.27
0.27
dephosphorylation
Probability 0.24
0.24
Showing 5 of 134 metabolites
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