Substrate
/
Generation 1
XenoSite
Bec
NC(CSCCB(O)O)C(=O)O
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
NC(C[SH](O)CCB(O)O)C(=O)O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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CCB(O)O)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%22232.5%22%20height%3D%22124.8%22%20viewBox%3D%2245.7%20-2.2%20232.5%20124.8%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_401270167f%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22162.5%22%20cy%3D%2240.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22205.6%22%20cy%3D%2241.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22237.2%22%20cy%3D%2261.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2286.3%22%20cy%3D%2255.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2296.3%22%20cy%3D%2275.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22194.1%22%20cy%3D%2260.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22172.5%22%20cy%3D%2259.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22151.0%22%20cy%3D%2258.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22129.4%22%20cy%3D%2257.6%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22215.6%22%20cy%3D%2261.0%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22225.7%22%20cy%3D%2280.1%22%20style%3D%22fill%3Argb(243%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22107.8%22%20cy%3D%2256.8%22%20style%3D%22fill%3Argb(157%2C192%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_401270167f%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_401270167f%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_401270167f%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_401270167f%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m205.9%2033.8l-0.8%2020.5%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m205.1%2054.3l-22.1%2011.6%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m183%2065.9l-17.9%20-11.3%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m162.1%2048.3l0.7%20-16%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-3%20atom-5%22%20d%3D%22m158.9%2054.3l-19%2010%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m139.9%2064.3l-21%20-13.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m118.9%2051l-18.9%209.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m93.6%2060.5l-13.8%20-8.7%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-7%20atom-9%22%20d%3D%22m96.6%2066.9l-0.6%2016.2%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-1%20atom-10%22%20d%3D%22m205.1%2054.3l21.1%2013.3%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m224.3%2066.5l-0.8%2021.6%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m228.1%2066.6l-0.9%2021.6%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m226.2%2067.6l17.9%20-9.4%22%2F%3E%3Cpath%20d%3D%22m184.1%2065.4l-1.1%200.5%20l-0.9%20-0.5%22%2F%3E%3Cpath%20d%3D%22m140.9%2063.8l-1%200.5%20l-1%20-0.7%22%2F%3E%3Cpath%20d%3D%22m119.9%2051.6l-1%20-0.6%20l-1%200.5%22%2F%3E%3Cpath%20d%3D%22m225.1%2067l1.1%200.6%20l0.9%20-0.4%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_401270167f%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20204.5%2025.9%20L%20206.8%2029.7%20Q%20207.0%2030.0%2C%20207.4%2030.7%20Q%20207.8%2031.4%2C%20207.8%2031.4%20L%20207.8%2025.9%20L%20208.7%2025.9%20L%20208.7%2033.0%20L%20207.8%2033.0%20L%20205.3%2028.9%20Q%20205.0%2028.4%2C%20204.7%2027.9%20Q%20204.4%2027.3%2C%20204.3%2027.2%20L%20204.3%2033.0%20L%20203.4%2033.0%20L%20203.4%2025.9%20L%20204.5%2025.9%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20210.1%2025.9%20L%20211.0%2025.9%20L%20211.0%2028.9%20L%20214.6%2028.9%20L%20214.6%2025.9%20L%20215.6%2025.9%20L%20215.6%2033.0%20L%20214.6%2033.0%20L%20214.6%2029.7%20L%20211.0%2029.7%20L%20211.0%2033.0%20L%20210.1%2033.0%20L%20210.1%2025.9%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20217.0%2032.7%20Q%20217.2%2032.3%2C%20217.6%2032.0%20Q%20218.0%2031.8%2C%20218.5%2031.8%20Q%20219.2%2031.8%2C%20219.6%2032.2%20Q%20220.0%2032.6%2C%20220.0%2033.2%20Q%20220.0%2033.9%2C%20219.5%2034.6%20Q%20219.0%2035.2%2C%20218.0%2036.0%20L%20220.1%2036.0%20L%20220.1%2036.5%20L%20217.0%2036.5%20L%20217.0%2036.1%20Q%20217.8%2035.4%2C%20218.4%2035.0%20Q%2021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