Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Abacavir carboxylate
Nc1nc(NC2CC2)c2ncn(C3C=CC(C(=O)O)C3)c2n1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Nc1nc(NC2CC2)c2c(n1)=[N+](C1C=CC(C(=O)O)C1)C(=O)N=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC12N=C(NC3CC3)C3=NC(=O)[N+](C4C=CC(C(=O)O)C4)=C3N1O2
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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 3
Show metabolites
NC12N=C(NC3CC3)C3=NC(=O)[N+](C4=CC=C(C(=O)O)C4)=C3N1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Show metabolites
*C1C=C([N+]2=C3C(=NC2=O)C(NC2CC2)=NC2(N)ON32)CC1=C(O)O |$CN;;;;;;;;;;;;;;;;;;;;;;;;$|
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cyanide · 0.00