palmitoleate

Synonyms :

• cis-Delta-9-hexadecanoate

Config Rule :

% palmitoleate


config(palmitoleate,[
        chain([
                carboxyl(1),
                num(methandiyl,7),
                car(9,hyd)~~,
                car(10,hyd),
                num(methandiyl,5),
                methyl]),
        cis(car(8),car(11),bond(car(9),car(10)))]).

Smiles String :

[C@2H2]([C](=[O])[O-])[C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2]\[CH]=[CH]/[C@2_
H2][C@2H2][C@2H2][C@2H2][C@2H2][CH3]

palmitoleate

Fischer Diagram :

Terminal :

% palmitoleate

c(1,12,(0,nonchiral))-[o(1,nil)?,c(2,right)~,o(2,nil)?],
c(2,12,(0,nonchiral))-[c(1,left)~,c(3,right)~,h(2,up)~,h(1,down)~],
c(3,12,(0,nonchiral))-[c(2,left)~,c(4,right)~,h(4,up)~,h(3,down)~],
c(4,12,(0,nonchiral))-[c(3,left)~,c(5,right)~,h(6,up)~,h(5,down)~],
c(5,12,(0,nonchiral))-[c(4,left)~,c(6,right)~,h(8,up)~,h(7,down)~],
c(6,12,(0,nonchiral))-[c(5,left)~,c(7,right)~,h(10,up)~,h(9,down)~],
c(7,12,(0,nonchiral))-[c(6,left)~,c(8,right)~,h(12,up)~,h(11,down)~],
c(8,12,(0,nonchiral))-[c(7,left)~,h(13,right)~,h(14,up)~,c(9,(down,isomeric(down)))~],
c(9,12,(0,nonchiral))-[h(15,(nil,isomeric(down)))~,c(8,(up,isomeric(up)))~,c(10,cis)~~],
c(10,12,(0,nonchiral))-[c(11,(right,isomeric(up)))~,h(16,(nil,isomeric(down)))~,c(9,cis)~~],
c(11,12,(0,nonchiral))-[c(10,(left,isomeric(down)))~,c(12,right)~,h(18,up)~,h(17,down)~],
c(12,12,(0,nonchiral))-[c(11,left)~,c(13,right)~,h(20,up)~,h(19,down)~],
c(13,12,(0,nonchiral))-[c(12,left)~,c(14,right)~,h(22,up)~,h(21,down)~],
c(14,12,(0,nonchiral))-[c(13,left)~,c(15,right)~,h(24,up)~,h(23,down)~],
c(15,12,(0,nonchiral))-[c(14,left)~,c(16,right)~,h(26,up)~,h(25,down)~],
c(16,12,(0,nonchiral))-[c(15,left)~,h(27,right)~,h(29,up)~,h(28,down)~],
h(1,1,(0,nonchiral))-[c(2,up)~],
h(2,1,(0,nonchiral))-[c(2,down)~],
h(3,1,(0,nonchiral))-[c(3,up)~],
h(4,1,(0,nonchiral))-[c(3,down)~],
h(5,1,(0,nonchiral))-[c(4,up)~],
h(6,1,(0,nonchiral))-[c(4,down)~],
h(7,1,(0,nonchiral))-[c(5,up)~],
h(8,1,(0,nonchiral))-[c(5,down)~],
h(9,1,(0,nonchiral))-[c(6,up)~],
h(10,1,(0,nonchiral))-[c(6,down)~],
h(11,1,(0,nonchiral))-[c(7,up)~],
h(12,1,(0,nonchiral))-[c(7,down)~],
h(13,1,(0,nonchiral))-[c(8,left)~],
h(14,1,(0,nonchiral))-[c(8,down)~],
h(15,1,(0,nonchiral))-[c(9,(nil,isomeric(up)))~],
h(16,1,(0,nonchiral))-[c(10,(nil,isomeric(up)))~],
h(17,1,(0,nonchiral))-[c(11,up)~],
h(18,1,(0,nonchiral))-[c(11,down)~],
h(19,1,(0,nonchiral))-[c(12,up)~],
h(20,1,(0,nonchiral))-[c(12,down)~],
h(21,1,(0,nonchiral))-[c(13,up)~],
h(22,1,(0,nonchiral))-[c(13,down)~],
h(23,1,(0,nonchiral))-[c(14,up)~],
h(24,1,(0,nonchiral))-[c(14,down)~],
h(25,1,(0,nonchiral))-[c(15,up)~],
h(26,1,(0,nonchiral))-[c(15,down)~],
h(27,1,(0,nonchiral))-[c(16,left)~],
h(28,1,(0,nonchiral))-[c(16,up)~],
h(29,1,(0,nonchiral))-[c(16,down)~],
o(1,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(1,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.

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