Adenosine 5'-(trihydrogen diphosate),2'-(sodium hydrogen phosphate),p',5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridium inner salt

化合物标识与属性

CAS

19254-05-8

PubChem CID

91873293

SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)[O-])O)O)C(=S)N.[Na+]

Canonical SMILES

NC(=S)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])O)[C@@H]3O)[C@H]2O)c1.[Na+]