L-malate


Malic acid is an alpha-hydroxy dicarboxylic acid with the formula HOOC-CH2-CHOH-COOH. It exists in the form of two diastereoisomers, the L and D enantiomers, with only L-malic acid being present in the natural environment. The conjugate base of malic acid and its salts are called malates. The L-malate anion serves as an intermediate in the Krebs cycle, one of the major metabolic pathways of cellular respiration in nearly all living organisms, and is involved in the Calvin cycle, which is part of photosynthesis. L-malic acid is widespread in the plant kingdom and is naturally found in apples, pears, and grape juice, where it contributes to the pleasant flavor. Consequently, it is used as a food additive, classified under the number E296.

MBS1121289 | Recombinant Methanothermus fervidus Malate/L-sulfolactate dehydrogenase (mdh)
MBS6081381 | Cabozantinib L-Malate Salt

l-malate-3d.gif

Synonyms :

 

  • L-MALATE

 

Config Rule :

 

% 'L-malate'


config('L-malate',[
        chain([
                carboxyl,
                car(2,hydroxyl&&hyd;),
                car(3,hyd&&hyd;),
                carboxyl])]).

config('L-malate',[
        chain([
                carboxyl,
                car(2,hydroxyl&&hyd;),
                car(3,hyd&&hyd;),
                carboxyl])]).

Smiles String :

 

[C@2H]([OH])([C](=[O])[O-])[C@2H2][C](=[O])[O-]

'L-malate'

Fischer Diagram :

 

Terminal :

% 'L-malate'

c(1,12,(0,nonchiral))-[o(2,nil)?,o(3,nil)?,c(2,down)~],
c(2,12,(0,chiral))-[o(1,left)~,h(1,right)~,c(1,up)~,c(3,down)~],
c(3,12,(0,nonchiral))-[c(4,left)~,h(3,right)~,c(2,up)~,h(4,down)~],
c(4,12,(0,nonchiral))-[o(4,nil)?,c(3,right)~,o(5,nil)?],
h(1,1,(0,nonchiral))-[c(2,left)~],
h(2,1,(0,nonchiral))-[o(1,nil)~],
h(3,1,(0,nonchiral))-[c(3,left)~],
h(4,1,(0,nonchiral))-[c(3,up)~],
o(1,16,(0,nonchiral))-[h(2,nil)~,c(2,right)~],
o(2,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(3,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(4,16,(-5.0E-01,nonchiral))-[c(4,nil)?],
o(5,16,(-5.0E-01,nonchiral))-[c(4,nil)?]

The Terminals for all the Config Rules are in Prolog Definite Clause Grammar (DCG) form.They can be checked in the Manual here.

The compound's PDB file can be seen here.