Substrate
/
Generation 1
XenoSite
Adomet
C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C[S+](CCC(N)C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.77
0.77
dealkylation
Probability 0.77
0.77
dealkylation
Probability 0.56
0.56
dealkylation
Probability 0.56
0.56
dealkylation
Probability 0.22
0.22
Showing 5 of 17 metabolites
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C(=O)O)CC1OC(N2c3ncnc(N)c3N3OC32)C(O)C1O N-Dealkylation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22320.5%22%20height%3D%22167.3%22%20viewBox%3D%2266.1%2010.7%20320.5%20167.3%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_9e96bed21c%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22244.0%22%20cy%3D%2298.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22183.7%22%20cy%3D%22135.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22169.5%22%20cy%3D%22119.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22213.6%22%20cy%3D%22111.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22224.3%22%20cy%3D%2293.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22283.9%22%20cy%3D%2295.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22302.6%22%20cy%3D%2287.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22105.6%22%20cy%3D%2273.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22162.3%22%20cy%3D%22139.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22141.2%22%20cy%3D%2286.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22226.9%22%20cy%3D%22126.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22112.9%22%20cy%3D%2253.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22315.9%22%20cy%3D%22102.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22323.5%22%20cy%3D%2281.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22286.8%22%20cy%3D%2272.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22315.2%22%20cy%3D%22127.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22245.7%22%20cy%3D%22118.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22127.0%22%20cy%3D%2269.6%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22344.4%22%20cy%3D%2275.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22312.8%22%20cy%3D%2245.1%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22238.8%22%20cy%3D%2276.6%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22201.9%22%20cy%3D%2292.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22328.6%22%20cy%3D%2260.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22205.1%22%20cy%3D%22131.8%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22291.9%22%20cy%3D%2251.3%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22155.4%22%20cy%3D%22102.7%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22303.6%22%20cy%3D%22132.7%22%20style%3D%22fill%3Argb(240%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22148.4%22%20cy%3D%2265.6%22%20style%3D%22fill%3Argb(109%2C159%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22264.8%22%20cy%3D%22107.0%22%20style%3D%22fill%3Argb(56%2C118%2C255)%22%2F%3E%3Ccircle%20r%3D%2213.5%22%20cx%3D%22305.3%22%20cy%3D%22120.2%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2215.8%22%20cx%3D%22285.5%22%20cy%3D%22115.5%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.0%22%20cx%3D%22305.3%22%20cy%3D%22120.2%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%2212.9%22%20cx%3D%22285.5%22%20cy%3D%22115.5%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22305.3%22%20cy%3D%22120.2%22%20style%3D%22fill%3Argb(89%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.3%22%20cx%3D%22285.5%22%20cy%3D%22115.5%22%20style%3D%22fill%3Argb(197%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22285.5%22%20cy%3D%22115.5%22%20style%3D%22fill%3Argb(204%2C204%2C0)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_9e96bed21c%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_9e96bed21c%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_9e96bed21c%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23000000%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoi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