Substrate
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Generation 1
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Generation 2
XenoSite
Alpha-linolenoyl-coa
CCC=CCC=CCC=CCCCCCCCC(=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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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
Generation 2
Show metabolites
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC([N+]2=c3ncnc(N)c3=NC2=O)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
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
Showing 5 of 7 metabolites
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