Rule bt0023

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Pattern 3819        All patterns
dialiphatic Ether -> Alcohol + Aldehyde
aromatic-aliphatic Ether -> Phenol derivative + Aldehyde

Aerobic Likelihood:              Neutral

EAWAG-BBD Reaction(s):
4-Chlorophenoxyacetate -----> Glyoxylate + 4-Chlorophenol (reacID# r0281)
2,4-Dichlorophenoxyacetic acid -----> Glyoxylate + 2,4-Dichlorophenol (reacID# r0274)
Diglycolate -----> Glycolate + Glyoxylate (reacID# r1534)
Dimethyl ether -----> Methanol + Formaldehyde (reacID# r0082)
4-Methoxybenzoate -----> 4-Hydroxybenzoate + Formaldehyde (reacID# r0154)
Methyl tert-butyl ether -----> tert-Butyl alcohol (reacID# r1023)
3-O-Methylgallate -----> Gallate (reacID# r1672)
Syringate -----> 3-O-Methylgallate (reacID# r1632)
2,4,5-Trichlorophenoxyacetic acid -----> Glyoxylate + 2,4,5-Trichlorophenol (reacID# r0359)
Vanillate -----> 3,4-Dihydroxybenzoate + Formaldehyde (reacID# r0146)
Vanillate -----> 3,4-Dihydroxybenzoate (reacID# r0758)

Does NOT handle ethers when the vincinal carbons are halogenated. When given an aromatic-aliphatic ether, Ar-O-R1, it will produce ArOH + R1CHO. When given a dialiphatic ether, R1-O-R2, it will produce both R1-OH + R2CHO, and R2-OH + R1-CHO. This rule will only act on ring ethers containing tertiary or quartiary carbon atoms neighboring the oxygen. It will not act on a diaromatic ether, Ar1-O-Ar2. Rule is blocked from acting on CoA.

bt0158: Enol ether --> Keto + Alcohol
bt0295: Ether with vicinal halogenated carbon [H1] --> Ester

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Page Author(s): Bo Kyeng Hou, Rachael Long, Michael Turnbull and Jiun-guo Yu
April 14, 2010

This is the EAWAG-BBD biotransformation rule, ruleID# bt0023.
It was generated on April 18, 2024 8:38:16 AM CDT.

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