Arachidonate
Synonyms :
- all cis-Delta-5,8,11,14-eicosatetraenoate
Config Rule :
% arachidonate
config(arachidonate,[
chain([
carboxyl(1),
num(methandiyl,3),
car(5,hyd)~~,
car(6,hyd),
methandiyl,
car(8,hyd)~~,
car(9,hyd),
methandiyl,
car(11,hyd)~~,
car(12,hyd),
methandiyl,
car(14,hyd)~~,
car(15,hyd),
num(methandiyl,4),
methyl]),
cis(car(4),car(7),bond(car(5),car(6))),
cis(car(7),car(10),bond(car(8),car(9))),
cis(car(10),car(13),bond(car(11),car(12))),
cis(car(13),car(16),bond(car(14),car(15)))]).
Smiles String :
[C@2H2]([C](=[O])[O-])[C@2H2][C@2H2]\[CH]=[CH]/[C@2H2]\[CH]=[CH]/[C@2H2]\[CH]=[_ CH]/[C@2H2]\[CH]=[CH]/[C@2H2][C@2H2][C@2H2][C@2H2][CH3] arachidonate
Fischer Diagram :
Terminal :
% arachidonate
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)~,h(5,right)~,h(6,up)~,c(5,(down,isomeric(down)))~],
c(5,12,(0,nonchiral))-[h(7,(nil,isomeric(down)))~,c(4,(up,isomeric(up)))~,c(6,cis)~~],
c(6,12,(0,nonchiral))-[c(7,(right,isomeric(up)))~,h(8,(nil,isomeric(down)))~,c(5,cis)~~],
c(7,12,(0,nonchiral))-[c(6,(left,isomeric(down)))~,c(8,(right,isomeric(down)))~,h(10,up)~,h(9,down)~],
c(8,12,(0,nonchiral))-[c(7,(left,isomeric(up)))~,h(11,(nil,isomeric(down)))~,c(9,cis)~~],
c(9,12,(0,nonchiral))-[c(10,(right,isomeric(up)))~,h(12,(nil,isomeric(down)))~,c(8,cis)~~],
c(10,12,(0,nonchiral))-[c(9,(left,isomeric(down)))~,c(11,(right,isomeric(down)))~,h(14,up)~,h(13,down)~],
c(11,12,(0,nonchiral))-[c(10,(left,isomeric(up)))~,h(15,(nil,isomeric(down)))~,c(12,cis)~~],
c(12,12,(0,nonchiral))-[c(13,(right,isomeric(up)))~,h(16,(nil,isomeric(down)))~,c(11,cis)~~],
c(13,12,(0,nonchiral))-[c(12,(left,isomeric(down)))~,c(14,(right,isomeric(down)))~,h(18,up)~,h(17,down)~],
c(14,12,(0,nonchiral))-[c(13,(left,isomeric(up)))~,h(19,(nil,isomeric(down)))~,c(15,cis)~~],
c(15,12,(0,nonchiral))-[c(16,(right,isomeric(up)))~,h(20,(nil,isomeric(down)))~,c(14,cis)~~],
c(16,12,(0,nonchiral))-[c(15,(left,isomeric(down)))~,c(17,right)~,h(22,up)~,h(21,down)~],
c(17,12,(0,nonchiral))-[c(16,left)~,c(18,right)~,h(24,up)~,h(23,down)~],
c(18,12,(0,nonchiral))-[c(17,left)~,c(19,right)~,h(26,up)~,h(25,down)~],
c(19,12,(0,nonchiral))-[c(18,left)~,c(20,right)~,h(28,up)~,h(27,down)~],
c(20,12,(0,nonchiral))-[c(19,left)~,h(29,right)~,h(31,up)~,h(30,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,left)~],
h(6,1,(0,nonchiral))-[c(4,down)~],
h(7,1,(0,nonchiral))-[c(5,(nil,isomeric(up)))~],
h(8,1,(0,nonchiral))-[c(6,(nil,isomeric(up)))~],
h(9,1,(0,nonchiral))-[c(7,up)~],
h(10,1,(0,nonchiral))-[c(7,down)~],
h(11,1,(0,nonchiral))-[c(8,(nil,isomeric(up)))~],
h(12,1,(0,nonchiral))-[c(9,(nil,isomeric(up)))~],
h(13,1,(0,nonchiral))-[c(10,up)~],
h(14,1,(0,nonchiral))-[c(10,down)~],
h(15,1,(0,nonchiral))-[c(11,(nil,isomeric(up)))~],
h(16,1,(0,nonchiral))-[c(12,(nil,isomeric(up)))~],
h(17,1,(0,nonchiral))-[c(13,up)~],
h(18,1,(0,nonchiral))-[c(13,down)~],
h(19,1,(0,nonchiral))-[c(14,(nil,isomeric(up)))~],
h(20,1,(0,nonchiral))-[c(15,(nil,isomeric(up)))~],
h(21,1,(0,nonchiral))-[c(16,up)~],
h(22,1,(0,nonchiral))-[c(16,down)~],
h(23,1,(0,nonchiral))-[c(17,up)~],
h(24,1,(0,nonchiral))-[c(17,down)~],
h(25,1,(0,nonchiral))-[c(18,up)~],
h(26,1,(0,nonchiral))-[c(18,down)~],
h(27,1,(0,nonchiral))-[c(19,up)~],
h(28,1,(0,nonchiral))-[c(19,down)~],
h(29,1,(0,nonchiral))-[c(20,left)~],
h(30,1,(0,nonchiral))-[c(20,up)~],
h(31,1,(0,nonchiral))-[c(20,down)~],
o(1,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(1,nil)?]