Adenosine 5a(2)-(trihydrogen diphosphate), 3a(2)-(dihydrogen phosphate), Pa(2)a5a(2)-ester with 3-acetyl-1-I(2)-D-ribofuranosylpyridinium, inner salt, disodium salt

化合物标识与属性

CAS

102029-67-4

PubChem CID

177839149

SMILES

CC(=O)C1=C[N+](=CC=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=C(N=CN=C54)N)O)OP(=O)(O)[O-])O)O.[Na+].[Na+]

Canonical SMILES

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