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-]
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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C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC34OC23N=CN=C4N)C(O)C1OP(=O)([O-])[O-]
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
dna
Probability 0.18
0.18
protein
Probability 0.13
0.13
glutathionation
Probability 0.05
0.05
protein
Probability 0.05
0.05
dna
Probability 0.04
0.04
Showing 5 of 12 metabolites
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