Substrate
/
Generation 1
XenoSite
Aminopropionitrile
N#CCCN
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
3-hydroxypropanenitrile
N#CCCO
CHEBI
Copy JSON
dealkylation · 0.06
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2295.3%22%20cy%3D%2214.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2275.1%22%20cy%3D%229.2%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22115.5%22%20cy%3D%2218.9%22%20style%3D%22fill%3Argb(195%2C217%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_3b892de194%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_3b892de194%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_3b892de194%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_3b892de194%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m44.1%2018.4l19.6%20-5.8%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m43%2015l19.6%20-5.8%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m45.1%2021.9l19.6%20-5.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m63.7%2012.6l22.9%20-6.8%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m86.6%205.8l17.4%2016.5%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m104%2022.3l19.6%20-5.8%22%2F%3E%3Cpath%20d%3D%22m62.7%2012.9l1%20-0.3%20l1.1%20-0.3%22%2F%3E%3Cpath%20d%3D%22m85.5%206.1l1.1%20-0.3%20l0.9%200.8%22%2F%3E%3Cpath%20d%3D%22m103.1%2021.5l0.9%200.8%20l1%20-0.3%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_3b892de194%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%2039.2%2016.0%20L%2041.4%2019.6%20Q%2041.6%2020.0%2C%2042.0%2020.6%20Q%2042.3%2021.2%2C%2042.4%2021.3%20L%2042.4%2016.0%20L%2043.3%2016.0%20L%2043.3%2022.8%20L%2042.3%2022.8%20L%2040.0%2018.9%20Q%2039.7%2018.4%2C%2039.4%2017.9%20Q%2039.1%2017.4%2C%2039.0%2017.2%20L%2039.0%2022.8%20L%2038.1%2022.8%20L%2038.1%2016.0%20L%2039.2%2016.0%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%20125.5%2012.1%20L%20127.7%2015.7%20Q%20127.9%2016.0%2C%20128.3%2016.7%20Q%20128.6%2017.3%2C%20128.6%2017.4%20L%20128.6%2012.1%20L%20129.5%2012.1%20L%20129.5%2018.9%20L%20128.6%2018.9%20L%20126.2%2014.9%20Q%20126.0%2014.5%2C%20125.7%2014.0%20Q%20125.4%2013.4%2C%20125.3%2013.3%20L%20125.3%2018.9%20L%20124.4%2018.9%20L%20124.4%2012.1%20L%20125.5%2012.1%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%20130.8%2012.1%20L%20131.8%2012.1%20L%20131.8%2015.0%20L%20135.2%2015.0%20L%20135.2%2012.1%20L%20136.1%2012.1%20L%20136.1%2018.9%20L%20135.2%2018.9%20L%20135.2%2015.7%20L%20131.8%2015.7%20L%20131.8%2018.9%20L%20130.8%2018.9%20L%20130.8%2012.1%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%20137.5%2018.6%20Q%20137.6%2018.2%2C%20138.0%2018.0%20Q%20138.4%2017.7%2C%20139.0%2017.7%20Q%20139.6%2017.7%2C%20140.0%2018.1%20Q%20140.4%2018.5%2C%20140.4%2019.1%20Q%20140.4%2019.8%2C%20139.9%2020.4%20Q%20139.4%2021.0%2C%20138.4%2021.8%20L%20140.5%2021.8%20L%20140.5%2022.3%20L%20137.5%2022.3%20L%20137.5%2021.8%20Q%20138.3%2021.2%2C%20138.8%2020.8%20Q%20139.3%2020.4%2C%20139.5%2020.0%20Q%20139.8%2019.6%2C%20139.8%2019.2%20Q%20139.8%2018.7%2C%20139.6%2018.5%20Q%20139.3%2018.2%2C%20139.0%2018.2%20Q%20138.6%2018.2%2C%20138.4%2018.4%20Q%20138.1%2018.5%2C%20138.0%2018.9%20L%20137.5%2018.6%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_3b892de194%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B40.7%2C%2019.4%5D%2C%20%5B63.7%2C%2012.6%5D%2C%20%5B86.6%2C%205.8%5D%2C%20%5B104.0%2C%2022.3%5D%2C%20%5B127.0%2C%2015.5%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}