isonicotinic-acetyl-nicotinamide-adenine dinucleotide

Compound Identifiers & Properties

PubChem CID

16220123

SMILES

C1NC2=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)N5C=C[C@@H](C(=C5)C(=O)N)C(=O)C6=CC=NC=C6)O)O)O)O)N

Canonical SMILES

NC(=O)C1=CN([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]3O)[C@@H](O)[C@H]2O)C=C[C@@H]1C(=O)c1ccncc1