Rule bt0340

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Pattern 4131        All patterns
1,2-Dihydroxypolyaromatic -> 1-Hydroxy-2-carboxyaromatic
1,2-Dihydroxybenzothionoid -> Benzothionate
Dihydroxyfluorene derivative -> Carboxy-1-indanone derivative


Aerobic Likelihood:              Likely

EAWAG-BBD Reaction(s):
cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene -----> 4-Methylsalicylate (reacID# r0797)

Comments:
This rule handles the upper naphthalene pathway, and includes dioxygenation of selected polyaromatics to form a 2-hydroxy-2-carboxychromene derivative, isomerization to the trans-enoate, dioxygenation of benzothionoids and isomerization to the trans-enoate, combined dioxygenation and isomerization of other polyaromatics, aldolytic cleavage of the pyruvate group (not shown) leaving an aldehyde, and oxidation of the aldehyde to a carboxylate (bt0003). The rule does not handle intermediate metabolites in the upper naphthalene pathway.


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Page Author(s): Michael Turnbull
September 30, 2011

This is the EAWAG-BBD biotransformation rule, ruleID# bt0340.
It was generated on September 19, 2017 6:31:29 AM CDT.

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