3-Aminopyridine 1,N(6)-Ethenoadenine Dinucleotide
[CAS# 82773-63-5]

Identification

• Name: 3-Aminopyridine 1,N(6)-Ethenoadenine Dinucleotide
• Synonyms: [(2R,3S,4R,5R)-5-(3-Aminopyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphate; [(2R,3S,4R,5R)-5-(3-Amino-1-Pyridin-1-Iumyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-Imidazo[2,1-F]Purinyl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Phosphate; [(2R,3S,4R,5R)-5-(3-Aminopyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [[(2R,3S,4R,5R)-3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphate
• Molecular Formula: C₂₂H₂₇N₇O₁₃P₂
• Molecular Weight: 659.44
• CAS Registry Number: 82773-63-5
• 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)N)[C@H](O)[C@@H]3O)([O-])=O)(=O)O)[N]4C6=C(N=C4)C5=NC=C[N]5C=N6
• InChI: 1S/C22H27N7O13P2/c23-11-2-1-4-27(6-11)21-17(32)15(30)12(40-21)7-38-43(34,35)42-44(36,37)39-8-13-16(31)18(33)22(41-13)29-10-25-14-19-24-3-5-28(19)9-26-20(14)29/h1-6,9-10,12-13,15-18,21-22,30-33H,7-8,23H2,(H-,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
• InChIKey: JVELNHZMYGAELO-RBEMOOQDSA-N