3-Pyridinealdehyde Adenine Dinucleotide
[CAS# 86-07-7]

Identification

• Name: 3-Pyridinealdehyde Adenine Dinucleotide
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Formylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate; [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-Formyl-1-Pyridin-1-Iumyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphate; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-Methanoylpyridin-1-Ium-1-Yl)Oxolan-2-Yl]Methyl Phosphate
• Molecular Formula: C₂₁H₂₆N₆O₁₄P₂
• Molecular Weight: 648.42
• CAS Registry Number: 86-07-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]3O[C@@H]([N+]2=CC(=CC=C2)C=O)[C@H](O)[C@@H]3O)([O-])=O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C21H26N6O14P2/c22-18-13-19(24-8-23-18)27(9-25-13)21-17(32)15(30)12(40-21)7-38-43(35,36)41-42(33,34)37-6-11-14(29)16(31)20(39-11)26-3-1-2-10(4-26)5-28/h1-5,8-9,11-12,14-17,20-21,29-32H,6-7H2,(H3-,22,23,24,33,34,35,36)/t11-,12-,14-,15-,16-,17-,20-,21-/m1/s1
• InChIKey: SZBYQPGZRAWXKJ-PLEFRAQWSA-N