Fumarate


Accession Number : KLM0000153 This work is released into the public domain; please see our release statement.

MBS576843 | Clemastine fumarate
MBS578043 | 3-Aminopropionitrile fumarate
MBS6048503 | Tenofovir Disoproxil Fumarate
MBS6062750 | Ketotifen Fumarate
MBS6064684 | Tiamulin Fumarate
MBS6110616 | Rupatadine Fumarate
MBS8506174 | Quetiapine fumarate (Seroquel)
MBS8506416 | Fesoterodine fumarate (Toviaz)
MBS9402616 | fumarate hydratase antibody
MBS130184 | DPPE Fumarate
MBS130418 | Tenofovir Disoproxil Fumarate
MBS848799 | Clemastine Fumarate
MBS3600774 | Tepilamide fumarate
MBS3602171 | Dofequidar fumarate
MBS3602814 | Rupatadine Fumarate
MBS3604149 | Anamorelin fumarate
MBS3607886 | Ibutilide Fumarate
MBS3608220 | 3-Aminopropionitrile fumarate
MBS5312279 | Fumarate Hydratase Antibody
MBS5312298 | Fumarate Hydratase Antibody

Synonyms :

 

  • FUMARATE

 

Config Rule :

 

% fumarate


config(fumarate,[
        chain([
                carboxyl(1),
                car(2,hyd)~~,
                car(3,hyd),
                carboxyl(4)]),
        trans(carboxyl(1),carboxyl(4),bond(car(2),car(3)))]).

Smiles String :

 

[CH](/[C](=[O])[O-])=[CH]\[C](=[O])[O-]

fumarate

Fischer Diagram :

 

Terminal :

% fumarate

c(1,12,(0,nonchiral))-[o(1,nil)?,o(2,nil)?,c(2,(nil,isomeric(down)))~],
c(2,12,(0,nonchiral))-[c(1,(nil,isomeric(up)))~,h(1,(nil,isomeric(down)))~,c(3,trans)~~],
c(3,12,(0,nonchiral))-[c(4,(nil,isomeric(down)))~,h(2,(nil,isomeric(up)))~,c(2,trans)~~],
c(4,12,(0,nonchiral))-[o(3,nil)?,o(4,nil)?,c(3,(nil,isomeric(up)))~],
h(1,1,(0,nonchiral))-[c(2,(nil,isomeric(up)))~],
h(2,1,(0,nonchiral))-[c(3,(nil,isomeric(down)))~],
o(1,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(1,nil)?],
o(3,16,(-5.0E-01,nonchiral))-[c(4,nil)?],
o(4,16,(-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.