Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arginine
NC(=[NH2+])NCCCC([NH3+])C(=O)[O-]
CHEBI
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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 1
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[NH2+]=C(N=O)NCCCC([NH3+])C(=O)[O-]
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC1(N=O)ON1CCCC([NH3+])C(=O)[O-]
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
Nitroxyl
N=O
CHEBI
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Description
▾
dealkylation · 0.99
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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![[NH2+]=C(N=O)NCCCC([NH3+])C(=O)[O-] Epoxidation 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%22238.2%22%20height%3D%22124.7%22%20viewBox%3D%2242.6%20-2.4%20238.2%20124.7%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_516dc5eea5%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22131.5%22%20cy%3D%2249.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2284.1%22%20cy%3D%2282.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22110.0%22%20cy%3D%2247.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2297.0%22%20cy%3D%2264.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22209.1%22%20cy%3D%2240.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22239.2%22%20cy%3D%2262.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22153.1%22%20cy%3D%2252.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22196.2%22%20cy%3D%2257.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22174.6%22%20cy%3D%2254.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2288.5%22%20cy%3D%2244.7%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22217.7%22%20cy%3D%2259.9%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22226.3%22%20cy%3D%2279.9%22%20style%3D%22fill%3Argb(241%2C246%2C255)%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_516dc5eea5%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_516dc5eea5%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_516dc5eea5%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_516dc5eea5%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m83.1%2038.3l17.4%2013%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m80.8%2041.3l17.4%2013%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m98.5%2052.2l-2.4%2020.4%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m91.3%2076.8l-15.4%206.6%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m92.8%2080.3l-15.4%206.6%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-1%20atom-4%22%20d%3D%22m98.5%2052.2l19.5%20-8.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m125%2044.9l16.6%2012.3%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m141.6%2057.2l23%20-9.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m164.6%2047.4l20.1%2014.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m184.7%2062.3l23%20-9.8%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m207.7%2052.5l2.4%20-20.5%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m207.7%2052.5l20%2014.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m226%2066.1l-2.6%2021.6%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m229.7%2066.6l-2.5%2021.5%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m227.7%2067.4l19%20-8.1%22%2F%3E%3Cpath%20d%3D%22m98.4%2053.2l0.1%20-1%20l1%20-0.5%22%2F%3E%3Cpath%20d%3D%22m140.7%2056.6l0.9%200.6%20l1.1%20-0.4%22%2F%3E%3Cpath%20d%3D%22m163.4%2047.9l1.2%20-0.5%20l1%200.7%22%2F%3E%3Cpath%20d%3D%22m183.6%2061.6l1.1%200.7%20l1.1%20-0.5%22%2F%3E%3Cpath%20d%3D%22m226.7%2066.7l1%200.7%20l1%20-0.4%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_516dc5eea5%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%2064.8%2033.6%20L%2065.7%2033.6%20L%2065.7%2036.6%20L%2069.4%2036.6%20L%2069.4%2033.6%20L%2070.3%2033.6%20L%2070.3%2040.7%20L%2069.4%2040.7%20L%2069.4%2037.4%20L%2065.7%2037.4%20L%2065.7%2040.7%20L%2064.8%2040.7%20L%2064.8%2033.6%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%2071.7%2040.5%20Q%2071.9%2040.0%2C%2072.3%2039.8%20Q%2072.7%2039.5%2C%2073.3%2039.5%20Q%2074.0%2039.5%2C%2074.4%2039.9%20Q%2074.8%2040.3%2C%2074.8%2041.0%20Q%2074.8%2041.7%2C%2074.2%2042.3%20Q%2073.7%2043.0%2C%2072.7%2043.7%20L%2074.8%2043.7%20L%2074.8%2044.3%20L%2071.7%2044.3%20L%2071.7%2043.8%20Q%2072.6%2043.2%2C%2073.1%2042.7%20Q%2073.6%2042.3%2C%2073.8%2041.9%20Q%2074.1%2041.4%2C%2074.1%2041.0%20Q%2074.1%2040.6%2C%2073.9%2040.3%20Q%2073.6%2040.1%2C%2073.3%2040.1%20Q%2072.9%2040.1%2C%2072.6%2040.2%20Q%2072.4%2040.4%2C%2072.2%2040.7%20L%2071.7%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![NC1(N=O)ON1CCCC([NH3+])C(=O)[O-] N-Dealkylation 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