Rule bt0254

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

Pattern 4224        All patterns
vic-Dihydroxyaromatic -> intradiol ring cleavage
vic-Dihydroxypyridine -> intradiol ring cleavage

Aerobic Likelihood:              Likely

EAWAG-BBD Reaction(s):
Anthracene-1,2-diol -----> 3-[(Z)-2-carboxyvinyl]-2-naphthoate (reacID# r1108)
1,2,4-Benzenetriol -----> Maleylacetate (reacID# r0232)
Catechol -----> cis,cis-Muconate (reacID# r0601)
3-Chlorocatechol -----> 2-Chloro-cis,cis-muconate (reacID# r0108)
4-Chlorocatechol -----> 3-Chloro-cis,cis-muconate (reacID# r0283)
4,6-Dichloro-3-methylcatechol -----> 3,5-Dichloro-3-methyl-cis,cis-muconate (reacID# r0959)
3,5-Dichlorocatechol -----> 2,4-Dichloro-cis,cis-muconate (reacID# r0276)
3,6-Dichlorocatechol -----> 2,5-Dichloro-cis,cis-muconate (reacID# r0655)
6,7-Dihydroxy-2-mercaptobenzothiazole -----> 4-[2-Carboxylatovinyl]-2-mercaptothiazole-5-carboxylate (reacID# r1180)
4,5-Dihydroxybenzo(a)pyrene -----> 4,5-Chrysenedicarboxylate (reacID# r1128)
3,4-Dihydroxybenzoate -----> 3-Carboxy-cis,cis-muconate (reacID# r0143)
4,5-Dihydroxypyrene -----> Phenanthrene-4,5-dicarboxylate (reacID# r0936)
3-Fluorocatechol -----> 2-Fluoro-cis,cis-muconate (reacID# r1223)
4-Fluorocatechol -----> 3-Fluoro-cis,cis-muconate (reacID# r1207)
4-Sulfocatechol -----> 3-Sulfomuconate (reacID# r0581)
Tetrachlorocatechol -----> Tetrachloro-cis,cis-muconate (reacID# r0801)
3,4,6-Trichlorocatechol -----> 2,3,5-Trichloro-cis,cis-muconate (reacID# r0528)
2,6,7-Trihydroxybenzothiazole -----> 4-[2-Carboxylatovinyl]-2-hydroxythiazole-5-carboxylate (reacID# r1295)
2,3,6-Trihydroxypyridine -----> Maleamate (reacID# r0483)

This rule does not handle 2,3-dihydroxy linear polyaromatics such as 2,3-dihydroxynaphthalene, 3-methylcatechol, 3-sulfocatechol, 3-fluorocatechol, 4-C-substituted catechol, 3,4-dihydroxyphenylacetate or 2,3,5-trihydroxytoluene derivatives. Though certain compounds are predicted as being cleaved exclusively by an intradiol or by an extradiol pathway, this does not mean that they can never be cleaved by the other pathway in certain environments or by certain organisms.

bt0008: vic-Dihydroxybenzenoid --> extradiol ring cleavage
bt0041: 1-Amino-2-hydroxy-3-unsubstituted benzenoid --> distal extradiol ring cleavage
bt0297: Hydroquinone derivative --> cis,cis-4-Ketomuconic semialdehyde derivative

Contact Us if you have any comments on rule bt0254.
[Pathway Prediction Engine] [All Rules List] [BBD Main Menu]

Page Author(s): Sean Anderson, Indraneel Shikhare, Michael Turnbull and Jiun-guo Yu
November 12, 2009

This is the EAWAG-BBD biotransformation rule, ruleID# bt0254.
It was generated on May 23, 2024 7:30:40 AM CDT.

© 2024, EAWAG.