Ceramide Elisa Kit
Accession Number : KLM0000085 This work is released into the public domain; please see our release statement.
Config Rule :
% ceramide
config(ceramide,[
substituent('sphingosine-N-yl'),
substituent(stearyl),
linkage(from('sphingosine-N-yl',nit(1)),
to(stearyl,car(1)),
nil,single)]).
config('sphingosine-N-yl',[
chain([
hydroxymethyl(1),
car(2,hyd&& (nit(1,hyd)~)),
car(3,hyd&&hydroxyl;),
car(4,hyd)~~,
car(5,hyd),
num(methandiyl,12),
methyl]),
trans(car(3),car(6),bond(car(4),car(5)))]).
config(stearyl,[
chain([
ketyl(1),
num(methandiyl,16),
methyl])]).
Smiles String :
[C@2H2]([OH])[C@2H]([C@2H](\[CH]=[CH]\[C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2_
][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][CH3])[OH])[NH][C]([C@2H2][C@2H2][C@_
2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H_
2][C@2H2][C@2H2][CH3])=[O]
ceramide
Fischer Diagram :
Terminal :
% ceramide
c(1,12,(0,nonchiral))-[o(1,left)~,h(1,right)~,h(2,up)~,c(2,down)~],
c(2,12,(0,chiral))-[h(4,left)~,n(1,right)~,c(1,up)~,c(3,down)~],
c(3,12,(0,chiral))-[h(6,left)~,o(2,right)~,c(2,up)~,c(4,(down,isomeric(down)))~],
c(4,12,(0,nonchiral))-[h(8,(nil,isomeric(down)))~,c(3,(up,isomeric(up)))~,c(5,trans)~~],
c(5,12,(0,nonchiral))-[c(6,(right,isomeric(down)))~,h(9,(nil,isomeric(up)))~,c(4,trans)~~],
c(6,12,(0,nonchiral))-[c(5,(left,isomeric(up)))~,c(7,right)~,h(11,up)~,h(10,down)~],
c(7,12,(0,nonchiral))-[c(6,left)~,c(8,right)~,h(13,up)~,h(12,down)~],
c(8,12,(0,nonchiral))-[c(7,left)~,c(9,right)~,h(15,up)~,h(14,down)~],
c(9,12,(0,nonchiral))-[c(8,left)~,c(10,right)~,h(17,up)~,h(16,down)~],
c(10,12,(0,nonchiral))-[c(9,left)~,c(11,right)~,h(19,up)~,h(18,down)~],
c(11,12,(0,nonchiral))-[c(10,left)~,c(12,right)~,h(21,up)~,h(20,down)~],
c(12,12,(0,nonchiral))-[c(11,left)~,c(13,right)~,h(23,up)~,h(22,down)~],
c(13,12,(0,nonchiral))-[c(12,left)~,c(14,right)~,h(25,up)~,h(24,down)~],
c(14,12,(0,nonchiral))-[c(13,left)~,c(15,right)~,h(27,up)~,h(26,down)~],
c(15,12,(0,nonchiral))-[c(14,left)~,c(16,right)~,h(29,up)~,h(28,down)~],
c(16,12,(0,nonchiral))-[c(15,left)~,c(17,right)~,h(31,up)~,h(30,down)~],
c(17,12,(0,nonchiral))-[c(16,left)~,c(18,right)~,h(33,up)~,h(32,down)~],
c(18,12,(0,nonchiral))-[c(17,left)~,h(34,right)~,h(36,up)~,h(35,down)~],
c(19,12,(0,nonchiral))-[o(3,nil)~~,c(20,right)~,n(1,nil)~],
c(20,12,(0,nonchiral))-[c(19,left)~,c(21,right)~,h(38,up)~,h(37,down)~],
c(21,12,(0,nonchiral))-[c(20,left)~,c(22,right)~,h(40,up)~,h(39,down)~],
c(22,12,(0,nonchiral))-[c(21,left)~,c(23,right)~,h(42,up)~,h(41,down)~],
c(23,12,(0,nonchiral))-[c(22,left)~,c(24,right)~,h(44,up)~,h(43,down)~],
c(24,12,(0,nonchiral))-[c(23,left)~,c(25,right)~,h(46,up)~,h(45,down)~],
c(25,12,(0,nonchiral))-[c(24,left)~,c(26,right)~,h(48,up)~,h(47,down)~],
c(26,12,(0,nonchiral))-[c(25,left)~,c(27,right)~,h(50,up)~,h(49,down)~],
c(27,12,(0,nonchiral))-[c(26,left)~,c(28,right)~,h(52,up)~,h(51,down)~],
c(28,12,(0,nonchiral))-[c(27,left)~,c(29,right)~,h(54,up)~,h(53,down)~],
c(29,12,(0,nonchiral))-[c(28,left)~,c(30,right)~,h(56,up)~,h(55,down)~],
c(30,12,(0,nonchiral))-[c(29,left)~,c(31,right)~,h(58,up)~,h(57,down)~],
c(31,12,(0,nonchiral))-[c(30,left)~,c(32,right)~,h(60,up)~,h(59,down)~],
c(32,12,(0,nonchiral))-[c(31,left)~,c(33,right)~,h(62,up)~,h(61,down)~],
c(33,12,(0,nonchiral))-[c(32,left)~,c(34,right)~,h(64,up)~,h(63,down)~],
c(34,12,(0,nonchiral))-[c(33,left)~,c(35,right)~,h(66,up)~,h(65,down)~],
c(35,12,(0,nonchiral))-[c(34,left)~,c(36,right)~,h(68,up)~,h(67,down)~],
c(36,12,(0,nonchiral))-[c(35,left)~,h(69,right)~,h(71,up)~,h(70,down)~],
h(1,1,(0,nonchiral))-[c(1,left)~],
h(2,1,(0,nonchiral))-[c(1,down)~],
h(3,1,(0,nonchiral))-[o(1,nil)~],
h(4,1,(0,nonchiral))-[c(2,right)~],
h(5,1,(0,nonchiral))-[n(1,nil)~],
h(6,1,(0,nonchiral))-[c(3,right)~],
h(7,1,(0,nonchiral))-[o(2,nil)~],
h(8,1,(0,nonchiral))-[c(4,(nil,isomeric(up)))~],
h(9,1,(0,nonchiral))-[c(5,(nil,isomeric(down)))~],
h(10,1,(0,nonchiral))-[c(6,up)~],
h(11,1,(0,nonchiral))-[c(6,down)~],
h(12,1,(0,nonchiral))-[c(7,up)~],
h(13,1,(0,nonchiral))-[c(7,down)~],
h(14,1,(0,nonchiral))-[c(8,up)~],
h(15,1,(0,nonchiral))-[c(8,down)~],
h(16,1,(0,nonchiral))-[c(9,up)~],
h(17,1,(0,nonchiral))-[c(9,down)~],
h(18,1,(0,nonchiral))-[c(10,up)~],
h(19,1,(0,nonchiral))-[c(10,down)~],
h(20,1,(0,nonchiral))-[c(11,up)~],
h(21,1,(0,nonchiral))-[c(11,down)~],
h(22,1,(0,nonchiral))-[c(12,up)~],
h(23,1,(0,nonchiral))-[c(12,down)~],
h(24,1,(0,nonchiral))-[c(13,up)~],
h(25,1,(0,nonchiral))-[c(13,down)~],
h(26,1,(0,nonchiral))-[c(14,up)~],
h(27,1,(0,nonchiral))-[c(14,down)~],
h(28,1,(0,nonchiral))-[c(15,up)~],
h(29,1,(0,nonchiral))-[c(15,down)~],
h(30,1,(0,nonchiral))-[c(16,up)~],
h(31,1,(0,nonchiral))-[c(16,down)~],
h(32,1,(0,nonchiral))-[c(17,up)~],
h(33,1,(0,nonchiral))-[c(17,down)~],
h(34,1,(0,nonchiral))-[c(18,left)~],
h(35,1,(0,nonchiral))-[c(18,up)~],
h(36,1,(0,nonchiral))-[c(18,down)~],
h(37,1,(0,nonchiral))-[c(20,up)~],
h(38,1,(0,nonchiral))-[c(20,down)~],
h(39,1,(0,nonchiral))-[c(21,up)~],
h(40,1,(0,nonchiral))-[c(21,down)~],
h(41,1,(0,nonchiral))-[c(22,up)~],
h(42,1,(0,nonchiral))-[c(22,down)~],
h(43,1,(0,nonchiral))-[c(23,up)~],
h(44,1,(0,nonchiral))-[c(23,down)~],
h(45,1,(0,nonchiral))-[c(24,up)~],
h(46,1,(0,nonchiral))-[c(24,down)~],
h(47,1,(0,nonchiral))-[c(25,up)~],
h(48,1,(0,nonchiral))-[c(25,down)~],
h(49,1,(0,nonchiral))-[c(26,up)~],
h(50,1,(0,nonchiral))-[c(26,down)~],
h(51,1,(0,nonchiral))-[c(27,up)~],
h(52,1,(0,nonchiral))-[c(27,down)~],
h(53,1,(0,nonchiral))-[c(28,up)~],
h(54,1,(0,nonchiral))-[c(28,down)~],
h(55,1,(0,nonchiral))-[c(29,up)~],
h(56,1,(0,nonchiral))-[c(29,down)~],
h(57,1,(0,nonchiral))-[c(30,up)~],
h(58,1,(0,nonchiral))-[c(30,down)~],
h(59,1,(0,nonchiral))-[c(31,up)~],
h(60,1,(0,nonchiral))-[c(31,down)~],
h(61,1,(0,nonchiral))-[c(32,up)~],
h(62,1,(0,nonchiral))-[c(32,down)~],
h(63,1,(0,nonchiral))-[c(33,up)~],
h(64,1,(0,nonchiral))-[c(33,down)~],
h(65,1,(0,nonchiral))-[c(34,up)~],
h(66,1,(0,nonchiral))-[c(34,down)~],
h(67,1,(0,nonchiral))-[c(35,up)~],
h(68,1,(0,nonchiral))-[c(35,down)~],
h(69,1,(0,nonchiral))-[c(36,left)~],
h(70,1,(0,nonchiral))-[c(36,up)~],
h(71,1,(0,nonchiral))-[c(36,down)~],
n(1,14,(0,nonchiral))-[c(2,left)~,h(5,nil)~,c(19,nil)~],
o(1,16,(0,nonchiral))-[h(3,nil)~,c(1,right)~],
o(2,16,(0,nonchiral))-[c(3,left)~,h(7,nil)~],
o(3,16,(0,nonchiral))-[c(19,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.