Rule bt0340

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

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)

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.

Contact Us if you have any comments on rule bt0340.
[Pathway Prediction Engine] [All Rules List] [BBD Main Menu]

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

This is the EAWAG-BBD biotransformation rule, ruleID# bt0340.
It was generated on April 18, 2024 9:14:53 AM CDT.

© 2024, EAWAG.