XenoSite
Baib
CC(CN)C(=O)O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Select a metabolite to form the next generation.
dealkylation
Probability 0.08
0.08
Methylmalonic acid
dealkylation
Probability 0.08
0.08
(r)-methylmalonate semialdehyde
dealkylation
Probability 0.08
0.08
(r)-3-hydroxyisobutyric acid
dealkylation
Probability 0.08
0.08
((sup 13)n)ammonia
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2288.3%22%20cy%3D%2277.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2269.5%22%20cy%3D%2244.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2288.3%22%20cy%3D%2255.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2288.3%22%20cy%3D%2234.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2250.7%22%20cy%3D%2255.7%22%20style%3D%22fill%3Argb(179%2C207%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_83590d12d5%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_83590d12d5%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_83590d12d5%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_83590d12d5%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m94.5%2023.1l-12.5%2021.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m82%2044.8l-25%200%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m57%2044.8l-10%2017.3%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-1%20atom-4%22%20d%3D%22m82%2044.8l12.5%2021.7%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m93.4%2068.4l22.1%200%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m93.4%2064.6l22.1%200%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-4%20atom-6%22%20d%3D%22m94.5%2066.5l-9.9%2017.3%22%2F%3E%3Cpath%20d%3D%22m58.2%2044.8l-1.2%200%20l-0.5%200.9%22%2F%3E%3Cpath%20d%3D%22m93.9%2065.4l0.6%201.1%20l-0.5%200.9%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_83590d12d5%22%3E%3Cpath%20class%3D%22atom-3%22%20d%3D%22M%2030.8%2062.9%20L%2031.8%2062.9%20L%2031.8%2066.0%20L%2035.4%2066.0%20L%2035.4%2062.9%20L%2036.3%2062.9%20L%2036.3%2070.0%20L%2035.4%2070.0%20L%2035.4%2066.8%20L%2031.8%2066.8%20L%2031.8%2070.0%20L%2030.8%2070.0%20L%2030.8%2062.9%20%22%2F%3E%3Cpath%20class%3D%22atom-3%22%20d%3D%22M%2037.7%2069.8%20Q%2037.9%2069.3%2C%2038.3%2069.1%20Q%2038.7%2068.8%2C%2039.3%2068.8%20Q%2040.0%2068.8%2C%2040.4%2069.2%20Q%2040.8%2069.6%2C%2040.8%2070.3%20Q%2040.8%2071.0%2C%2040.3%2071.6%20Q%2039.8%2072.3%2C%2038.7%2073.0%20L%2040.9%2073.0%20L%2040.9%2073.6%20L%2037.7%2073.6%20L%2037.7%2073.1%20Q%2038.6%2072.5%2C%2039.1%2072.0%20Q%2039.6%2071.6%2C%2039.9%2071.2%20Q%2040.1%2070.8%2C%2040.1%2070.3%20Q%2040.1%2069.9%2C%2039.9%2069.6%20Q%2039.7%2069.4%2C%2039.3%2069.4%20Q%2038.9%2069.4%2C%2038.7%2069.5%20Q%2038.4%2069.7%2C%2038.2%2070.0%20L%2037.7%2069.8%20%22%2F%3E%3Cpath%20class%3D%22atom-3%22%20d%3D%22M%2042.9%2062.9%20L%2045.2%2066.7%20Q%2045.5%2067.1%2C%2045.8%2067.7%20Q%2046.2%2068.4%2C%2046.2%2068.5%20L%2046.2%2062.9%20L%2047.2%2062.9%20L%2047.2%2070.0%20L%2046.2%2070.0%20L%2043.7%2065.9%20Q%2043.4%2065.4%2C%2043.1%2064.9%20Q%2042.8%2064.3%2C%2042.7%2064.2%20L%2042.7%2070.0%20L%2041.8%2070.0%20L%2041.8%2062.9%20L%2042.9%2062.9%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20116.3%2066.5%20Q%20116.3%2064.8%2C%20117.1%2063.9%20Q%20118.0%2062.9%2C%20119.5%2062.9%20Q%20121.1%2062.9%2C%20122.0%2063.9%20Q%20122.8%2064.8%2C%20122.8%2066.5%20Q%20122.8%2068.2%2C%20121.9%2069.2%20Q%20121.1%2070.2%2C%20119.5%2070.2%20Q%20118.0%2070.2%2C%20117.1%2069.2%20Q%20116.3%2068.2%2C%20116.3%2066.5%20M%20119.5%2069.4%20Q%20120.6%2069.4%2C%20121.2%2068.7%20Q%20121.8%2067.9%2C%20121.8%2066.5%20Q%20121.8%2065.1%2C%20121.2%2064.4%20Q%20120.6%2063.7%2C%20119.5%2063.7%20Q%20118.5%2063.7%2C%20117.9%2064.4%20Q%20117.3%2065.1%2C%20117.3%2066.5%20Q%20117.3%2067.9%2C%20117.9%2068.7%20Q%20118.5%2069.4%2C%20119.5%2069.4%20%22%2F%3E%3Cpath%20class%3D%22atom-6%22%20d%3D%22M%2071.8%2084.7%20L%2072.7%2084.7%20L%2072.7%2087.7%20L%2076.3%2087.7%20L%2076.3%2084.7%20L%2077.3%2084.7%20L%2077.3%2091.7%20L%2076.3%2091.7%20L%2076.3%2088.5%20L%2072.7%2088.5%20L%2072.7%2091.7%20L%2071.8%2091.7%20L%2071.8%2084.7%20%22%2F%3E%3Cpath%20class%3D%22atom-6%22%20d%3D%22M%2078.8%2088.2%20Q%2078.8%2086.5%2C%2079.6%2085.5%20Q%2080.4%2084.6%2C%2082.0%2084.6%20Q%2083.6%2084.6%2C%2084.4%2085.5%20Q%2085.3%2086.5%2C%2085.3%2088.2%20Q%2085.3%2089.9%2C%2084.4%2090.9%20Q%2083.6%2091.9%2C%2082.0%2091.9%20Q%2080.5%2091.9%2C%2079.6%2090.9%20Q%2078.8%2089.9%2C%2078.8%2088.2%20M%2082.0%2091.1%20Q%2083.1%2091.1%2C%2083.7%2090.3%20Q%2084.3%2089.6%2C%2084.3%2088.2%20Q%2084.3%2086.8%2C%2083.7%2086.1%20Q%2083.1%2085.4%2C%2082.0%2085.4%20Q%2080.9%2085.4%2C%2080.3%2086.1%20Q%2079.8%2086.8%2C%2079.8%2088.2%20Q%2079.8%2089.6%2C%2080.3%2090.3%20Q%2080.9%2091.1%2C%2082.0%2091.1%20%22%2F%3E%3C%2Fg%3E%3C!--%20END%20OF%20HEADER%20--%3E%3C%2Fg%3E%3Cg%20class%3D%22overlay%22%3E%3Cg%20id%3D%22overlay_xeno_83590d12d5%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B94.5%2C%2023.1%5D%2C%20%5B82.0%2C%2044.8%5D%2C%20%5B57.0%2C%2044.8%5D%2C%20%5B44.5%2C%2066.5%5D%2C%20%5B94.5%2C%2066.5%5D%2C%20%5B119.5%2C%2066.5%5D%2C%20%5B82.0%2C%2088.2%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%221%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.5%22%20fill%3D%22rgb(255%2C47%2C0)%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%221.375%22%20x2%3D%221.025%22%20y2%3D%222.897222222222222%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%223.5972222222222223%22%20x2%3D%221.025%22%20y2%3D%225.119444444444445%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%222.136111111111111%22%20x2%3D%221.375%22%20y2%3D%222.136111111111111%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%224.358333333333333%22%20x2%3D%221.375%22%20y2%3D%224.358333333333333%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Ctext%20x%3D%221.025%22%20y%3D%221.025%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E1.0%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%223.2472222222222222%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.5%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%225.469444444444445%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.0%3C%2Ftext%3E%3C%2Fsvg%3E){kind=small}