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(n2cnc3c2N=CN2OC32N)C(O)C1O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
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C(=O)O)CC1OC(n2cnc3c2N=CN2OC32N)C(O)C1O protein 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%22312.3%22%20height%3D%22168.3%22%20viewBox%3D%2274.5%207.6%20312.3%20168.3%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_660b08f576%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22217.6%22%20cy%3D%2251.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22262.8%22%20cy%3D%2297.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22356.8%22%20cy%3D%22106.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22211.7%22%20cy%3D%22115.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22178.6%22%20cy%3D%2272.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22340.4%22%20cy%3D%22145.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22314.0%22%20cy%3D%22111.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22261.2%22%20cy%3D%2243.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22287.6%22%20cy%3D%2277.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22284.3%22%20cy%3D%2252.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22242.2%22%20cy%3D%2283.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22139.9%22%20cy%3D%2261.6%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22304.0%22%20cy%3D%2237.6%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22218.8%22%20cy%3D%2291.9%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22164.5%22%20cy%3D%2293.5%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22310.7%22%20cy%3D%2287.0%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22241.5%22%20cy%3D%2258.6%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22105.4%22%20cy%3D%2285.7%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22104.5%22%20cy%3D%22120.9%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22140.6%22%20cy%3D%2286.5%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22170.4%22%20cy%3D%22117.7%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22163.4%22%20cy%3D%2253.2%22%20style%3D%22fill%3Argb(244%2C248%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22203.5%22%20cy%3D%2272.2%22%20style%3D%22fill%3Argb(237%2C244%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22294.3%22%20cy%3D%22127.0%22%20style%3D%22fill%3Argb(222%2C234%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22122.6%22%20cy%3D%22103.7%22%20style%3D%22fill%3Argb(207%2C225%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22337.1%22%20cy%3D%22121.2%22%20style%3D%22fill%3Argb(198%2C219%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22152.4%22%20cy%3D%22134.9%22%20style%3D%22fill%3Argb(70%2C130%2C255)%22%2F%3E%3Ccircle%20r%3D%2213.0%22%20cx%3D%22128.5%22%20cy%3D%22127.9%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.4%22%20cx%3D%22128.5%22%20cy%3D%22127.9%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22128.5%22%20cy%3D%22127.9%22%20style%3D%22fill%3Argb(38%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_660b08f576%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_660b08f576%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_660b08f576%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-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_660b08f576%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m304%2037.6l-13.9%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m284.9%2057.4l2.7%2020.1%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m287.6%2077.5l23.1%209.5%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m310.7%2087l3.3%2024.7%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m314%20111.7l-16.2%2012.6%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-4%20atom-6%22%20d%3D%22m314%20111.7l23.1%209.5%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m337.4%20123.3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C(=O)O)CC1OC(n2cnc3c2N=CN2OC32N)C(O)C1O cyanide 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