Rule bt0055

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

Pattern 3469        All patterns
1-carboxy-2-unsubstituted Aromatic -> Catechol derivative


Aerobic Likelihood:              Likely

EAWAG-BBD Reaction(s):
Not found

Comments:
This rule handles the dioxygenation of 1-carboxyl-2-unsubstituted aromatics (bt0368) and subsequent oxidation to form the catechol derivative (bt0056).This rule is restricted from acting on phthalate, cumate and 1-naphthoate derivatives. All fused aromatic ring products with hydroxyls at 2,3 position are excluded. All pyridines with N para to carboxylate have been excluded. This rule acts on both cis and trans-dihydrodiol intermediates.

Similarities:
bt0005: vic-unsubstituted Aromatic --> vic-Dihydroxyaromatic
bt0439: 2-Phenylacyl derivative --> Catechol derivative + Acyl derivative

Contact Us if you have any comments on rule bt0055.
[Pathway Prediction Engine] [All Rules List] [BBD Main Menu]

Page Author(s): Bo Kyeng Hou, Dave Roe, Rachael Long, Jiun-guo Yu and Michael Turnbull
December 09, 2008

This is the EAWAG-BBD biotransformation rule, ruleID# bt0055.
It was generated on March 29, 2024 8:23:55 AM CDT.

© 2024, EAWAG.