beta-Nicotinamide adenine dinucleotide phosphate sodium salt

Compound Identifiers & Properties

CAS

1184-16-3

PubChem CID

138393581

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=C(N=CN=C54)N)OP(=O)(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(N)ncnc54)[C@@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)c1.[Na+]