Rule bt0058

[Pathway Prediction Engine] [All Rules List] [BBD Main Menu]

Pattern 2811
aliphatic Nitroester -> Hydroxyaliphatic + Nitrite

Aerobic Likelihood:              Unlikely

EAWAG-BBD Reaction(s):
1,2-Dinitroglycerol -----> 1-Mononitroglycerol (reacID# r0918)
1,2-Dinitroglycerol -----> 2-Mononitroglycerol (reacID# r0917)
1,3-Dinitroglycerol -----> 1-Mononitroglycerol (reacID# r0042)
1-Mononitroglycerol -----> Glycerol (reacID# r0044)
2-Mononitroglycerol -----> Glycerol (reacID# r0043)
Nitroglycerin (NG) -----> 1,2-Dinitroglycerol (reacID# r0039)
Nitroglycerin (NG) -----> 1,3-Dinitroglycerol (reacID# r0040)
Pentaerythritol tetranitrate -----> Pentaerythritol trinitrate (reacID# r0025)
Pentaerythritol trinitrate -----> Pentaerythritol dinitrate (reacID# r0031)

Contact Us if you have any comments on rule bt0058.
[Pathway Prediction Engine] [All Rules List] [BBD Main Menu]

Page Author(s): Bo Kyeng Hou and Jiun-guo Yu
February 04, 2011

This is the EAWAG-BBD biotransformation rule, ruleID# bt0058.
It was generated on April 18, 2024 8:57:41 AM CDT.

© 2024, EAWAG.