nicotinamide adenine dinucleotide 3-pentanone adduct

Compound Identifiers & Properties

PubChem CID

17754101

SMILES

CCC(=O)[C@@H](C)C1=C(C=[N+](C=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)O)O)O)C(=O)N

Canonical SMILES

CCC(=O)[C@@H](C)c1cc[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]3O)[C@@H](O)[C@H]2O)cc1C(N)=O