Rule bt0374 Patterns

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Aerobic Likelihood:

 Very likely   Likely   Neutral   Unlikely   Very unlikely   Unknown  

Pattern 3801
Pattern 4081
Pattern 4148
polynuclear Aromatic system -> 1,2-dioxygenation and cleavage at connecting atom

This rule handles the polynuclear aromatic system pathway and includes angular 1,2-dioxygenation of aromatic rings connected by an ether (Schmidt et al., 1992), amine or carbonyl, with an unsubstituted or halogenated ring carbon adjacent to the connecting atom to form a hemiacetal-like polynuclear aromatic system, and its cleavage. Hemiacetal-like connections formed from an ether or amine are spontaneously cleaved. If a carbonyl formed the original connection, the cleavage is an enzymatic reaction (Nojiri et al., 2001). The rule does not handle intermediate metabolites in the polynuclear aromatic system pathway.

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Page Author(s): Michael Turnbull
January 27, 2011

This is the EAWAG-BBD biotransformation rule, ruleID# bt0374.
It was generated on November 27, 2020 7:19:14 PM CST.

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