NICOTINAMIDE ADENINE DINUCLEOTIDE, [ADENINE-2,8-3H]

Compound Identifiers & Properties

CAS

107688-05-1

PubChem CID

131865506

SMILES

[3H]C1=NC(=C2C(=N1)N(C(=N2)[3H])[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

Canonical SMILES

[3H]c1nc(N)c2nc([3H])n([C@@H]3O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]4O[C@@H]([n+]5cccc(C(N)=O)c5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1