Rule bt0005 Patterns

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Aerobic Likelihood:

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Pattern 3667
Pattern 3776
Pattern 4282
vic-unsubstituted Aromatic -> vic-Dihydroxyaromatic

This rule handles the dioxygenation of vic-unsubstituted aromatics (bt0367) and subsequent oxidation to form the catechol derivative (bt0255).When there is more than one potential site of dioxygenation, all possible positions are given. All fused aromatic ring products with hydroxyl at 2,3 position are excluded. The aromatic hydrocarbon dioxygenases produce an activated dioxygen species that is thought to be sufficiently reactive to potentially functionalize most, if not all, aromatic ring carbon atoms (Lipscomb and Hoffman, 2005). Commonly, the position of dioxygenation will be determined by the orientation of the ring(s) in the enzyme's active site, which cannot be predicted. This rule does not act on heterocyclic aromatic rings except for some pyridines, and does not act on many aromatic carboxylates.

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Page Author(s): Bo Kyeng Hou, Dave Roe, Michael Turnbull and Rachael Long
August 31, 2010

This is the EAWAG-BBD biotransformation rule, ruleID# bt0005.
It was generated on March 3, 2024 11:08:21 AM CST.

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