Rule bt0051

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Pattern 3093        All patterns
2- or 3- substituted Carboxylate -> RH + CO2


Aerobic Likelihood:              Neutral

EAWAG-BBD Reaction(s):
cis-5-Carboxymethyl-2-oxohex-3-ene-1,6-dioate -----> cis-2-Oxohept-3-ene-1,7-dioate (reacID# r0367)
3-Chloro-cis,cis-muconate -----> 4-Methylenebut-2-en-4-olide (reacID# r0284)
bis(4'-Chlorophenyl)acetate (DDA) -----> bis(4'-Chlorophenyl)methane (DDM) (reacID# r0520)
bis(4'-Chlorophenyl)acetate (DDA) -----> 4,4'-Dichlorobenzophenone (DBP) (reacID# r0517)
3,5-Dibromo-4-hydroxybenzoate -----> 2,6-Dibromophenol (reacID# r0546)
2,3-Dihydroxybenzoate -----> Catechol (reacID# r0579)
3,4-Dihydroxybenzoate -----> Catechol (reacID# r1553)
4,4-Dimethyl-3-oxopentanoate -----> 3,3-Dimethyl-2-butanone (reacID# r1280)
Dimethylmalonate -----> Isobutyrate (reacID# r1031)
2-Formyl-1-indanone -----> 1-Indanone (reacID# r0414)
1-Formyl-2-indanone -----> 2-Indanone (reacID# r0423)
Gallate -----> Pyrogallol (reacID# r0005)
Glutaconyl-CoA -----> Crotonoyl-CoA (reacID# r0199)
2-Hydroxy-2-methyl-1,3-dicarbonate -----> L-Lactate (reacID# r0621)
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate -----> 3-Hydroxy-2-methylpyridine-5-carboxylate (reacID# r1522)
2-Hydroxyisobutyrate -----> 2-Propanol (reacID# r0617)
2-Hydroxyisophthalic acid -----> Salicylate (reacID# r0776)
Malonate semialdehyde -----> Acetaldehyde (reacID# r0266)
Pyrrole-2-carboxylate -----> Pyrrole (reacID# r0970)
Pyruvate + (2-Methylhexyl)malonyl-CoA -----> 4-Methyloctanoyl-CoA + Oxaloacetate (reacID# r0923)
Terephthalate -----> Benzoate (reacID# r0321)
2,3,6-Trihydroxyisonicotinate -----> 2,3,6-Trihydroxypyridine (reacID# r1340)
2,4,4-Trimethyl-3-oxopentanoate -----> 2,2-Dimethyl-3-pentanone (reacID# r1278)
L-Valine -----> Isobutylamine (reacID# r1052)

Comments:
Will decarboxylate most 2-amino, 2-aryl, 2-tertiary carbon, 2-N-heterocyclic aromatic, 3-keto, 3-ene-5-keto, 3-hydroxy, and 3-aryl carboxylates. Handles most appropriate microbial IUBMB EC4.1.1.- decarboxylations, including alterative substrates. Will not act on substrates for beta-oxidation (bt0337), alpha-hydroxy acids.

Similarities:
bt0082: 2-Ketocarboxylate --> Carboxylate + CO2
bt0349: Aromatic dicarboxylate --> Aromatic carboxylate + CO2

Contact Us if you have any comments on rule bt0051.
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Page Author(s): Bo Kyeng Hou, Michael Turnbull and Jiun-guo Yu
November 24, 2008

This is the EAWAG-BBD biotransformation rule, ruleID# bt0051.
It was generated on September 25, 2017 4:47:17 AM CDT.

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