Substrate
/
Generation 1
/
Generation 2
XenoSite
Barasertibum
CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCN(CCCOc1ccc2c(Nc3cc(CC=O)[nH]n3)ncnc2c1)CCOP(=O)(O)O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
2-(phosphonooxy)acetaldehyde
O=CCOP(=O)(O)O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dephosphorylation
Probability 0.63
0.63
Glycolaldehyde
dephosphorylation
Probability 0.63
0.63
Phosphonic acid
dehydration
Probability 0.14
0.14
Monoethyl phosphate
dehydration
Probability 0.14
0.14
15o
hydrogenation
Probability 0.14
0.14
1,2-ethanediol, 1-(dihydrogen phosphate)
Showing 5 of 20 metabolites
Show all