Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Batzelladine a
CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
CCCCCCCCCC1CC2CCC3C(C=O)C(C)N=C(N1)N23
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCCCCCCCCC1CC2CCC(C(C=O)C(C)O)N2C(=N)N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C(O)C(C(C)O)C1CCC2CC(CCCCCCCCC)NC(=N)N21 |$CN;;;;;;;;;;;;;;;;;;;;;;;;;$|
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cyanide · 0.14