Inosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 3-(aminocarbonyl)-1-I(2)-D-ribofuranosylpyridinium, inner salt, monosodium salt

化合物标识与属性

CAS

104809-38-3

PubChem CID

172652595

SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CNC5=O)O)O)O)O)C(=O)N.[Na+]

Canonical SMILES

NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]cnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[Na+]