8-propylthio NAD+ (sodium salt)

Compound Identifiers & Properties

CAS

2022926-18-5

PubChem CID

171042976

SMILES

CCCSC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)O)O)O)O)N.[Na+]

Canonical SMILES

CCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]([n+]3cccc(C(N)=O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[Na+]