Rule bt0378

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

Pattern 3188        All patterns
2,4,6-Trinitrophenol derivative -> 2,4-Dinitrocyclohexanone derivative

Aerobic Likelihood:              Unlikely

EAWAG-BBD Reaction(s):
Not found

This rule is based on picric acid degradation and handles the di- and trinitrophenol pathway. It includes two initial hydride transferase reactions to form the DNP and TNP dihydride Meisenheimer complexes respectively (bt0304 and bt0311). The TNP dihydride complex undergoes elimination of nitrite (bt0307) and a third hydride transfer reaction to form the DNP dihydride complex (bt0305). Spontaneous protonation of this complex yields 2,4-Dinitrocyclohexanone. This rule DOES NOT handle intermediates in this pathway.

Contact Us if you have any comments on rule bt0378.
[Pathway Prediction Engine] [All Rules List] [BBD Main Menu]

Page Author(s): Michael Turnbull
April 14, 2008

This is the EAWAG-BBD biotransformation rule, ruleID# bt0378.
It was generated on September 19, 2017 6:43:02 AM CDT.

© 2017, EAWAG.