ATP Assay kits
Synonyms :
- adenosine triphosphate
- adenosine 5'-triphosphate
- 5' adenylate triphosphate
- rATP
- 5' rATP
Config Rule :
% 'ATP'
config('ATP',[
substituent('D-1-dehydroxy-5-oxy-ribofuranosyl'),
substituent(adenyl),
substituent(triphosphoryl),
linkage(from('D-1-dehydroxy-5-oxy-ribofuranosyl',car(1)),
to(adenyl,nit(9)),
up,single),
linkage(from(triphosphoryl,pho(1)),
to('D-1-dehydroxy-5-oxy-ribofuranosyl',attach_to([oxy,car(5)])),
nil,single)]).
config('D-1-dehydroxy-5-oxy-ribofuranosyl',[
ring([
oxy,
anomeric(1,hyd),
car(2,hyd&&hydroxyl;),
car(3,hyd&&hydroxyl;),
car(4,oxymethyl&&hyd;)])]).
config(adenyl,[
model(adenine,[
diff(nit(9,hyd),nit(9))])]).
config(adenine,[
model(purine,[
diff(car(6,hyd),car(6,amine(10)))])]).
config(purine,[
ring_system([
ring([
car(6,hyd)&,
car(5)&,
car(4)&,
nit(3)&,
car(2,hyd)&,
nit(1)&]),
ring([
nit(7)&,
car(8,hyd)&,
nit(9,hyd)&,
car(4)&,
car(5)&])],
conjugate(1,pseudopos([car(4),car(5)]),2,pseudopos([car(4),car(5)]))])]).
Terminal :
% 'ATP'
c(1,12,(0,chiral))-[c(2,left)~,o(1,right)~,n(9,up)~,h(1,down)~],
c(2,12,(0,chiral))-[c(3,left)~,c(1,right)~,h(2,up)~,o(2,down)~],
c(3,12,(0,chiral))-[c(4,left)~,c(2,right)~,h(4,up)~,o(3,down)~],
c(4,12,(0,chiral))-[o(1,left)~,c(3,right)~,c(5,up)~,h(6,down)~],
c(5,12,(0,nonchiral))-[h(7,left)~,h(8,right)~,o(4,up)~,c(4,down)~],
c(6,12,(0,nonchiral))-[h(11,nil)~,n(3,flat)&,n(1,flat)&],
c(8,12,(0,nonchiral))-[n(3,flat)&,c(9,flat)&,n(9,flat)&],
c(9,12,(0,nonchiral))-[c(8,flat)&,c(10,flat)&,n(7,flat)&],
c(10,12,(0,nonchiral))-[n(10,nil)~,n(1,flat)&,c(9,flat)&],
c(12,12,(0,nonchiral))-[h(12,nil)~,n(7,flat)&,n(9,flat)&],
h(1,1,(0,nonchiral))-[c(1,up)~],
h(2,1,(0,nonchiral))-[c(2,down)~],
h(3,1,(0,nonchiral))-[o(2,nil)~],
h(4,1,(0,nonchiral))-[c(3,down)~],
h(5,1,(0,nonchiral))-[o(3,nil)~],
h(6,1,(0,nonchiral))-[c(4,up)~],
h(7,1,(0,nonchiral))-[c(5,right)~],
h(8,1,(0,nonchiral))-[c(5,left)~],
h(9,1,(0,nonchiral))-[n(10,nil)~],
h(10,1,(0,nonchiral))-[n(10,nil)~],
h(11,1,(0,nonchiral))-[c(6,nil)~],
h(12,1,(0,nonchiral))-[c(12,nil)~],
n(1,14,(0,nonchiral))-[c(6,flat)&,c(10,flat)&],
n(3,14,(0,nonchiral))-[c(6,flat)&,c(8,flat)&],
n(7,14,(0,nonchiral))-[c(9,flat)&,c(12,flat)&],
n(9,14,(0,nonchiral))-[c(1,down)~,c(12,flat)&,c(8,flat)&],
n(10,14,(0,nonchiral))-[h(9,nil)~,h(10,nil)~,c(10,nil)~],
o(1,16,(0,nonchiral))-[c(1,left)~,c(4,right)~],
o(2,16,(0,nonchiral))-[h(3,nil)~,c(2,up)~],
o(3,16,(0,nonchiral))-[h(5,nil)~,c(3,up)~],
o(4,16,(0,nonchiral))-[p(1,right)~,c(5,down)~],
o(5,16,(0,nonchiral))-[p(1,left)~,p(2,right)~],
o(6,16,(0,nonchiral))-[p(2,left)~,p(3,right)~],
o(7,16,(-5.0E-01,nonchiral))-[p(1,up)?],
o(8,16,(-5.0E-01,nonchiral))-[p(1,down)?],
o(9,16,(-5.0E-01,nonchiral))-[p(2,up)?],
o(10,16,(-5.0E-01,nonchiral))-[p(2,down)?],
o(11,16,(-6.666666666666666E-01,nonchiral))-[p(3,left)?],
o(12,16,(-6.666666666666666E-01,nonchiral))-[p(3,up)?],
o(13,16,(-6.666666666666666E-01,nonchiral))-[p(3,down)?],
p(1,31,(0,nonchiral))-[o(4,left)~,o(5,right)~,o(8,up)?,o(7,down)?],
p(2,31,(0,nonchiral))-[o(5,left)~,o(6,right)~,o(10,up)?,o(9,down)?],