Pyridine 1,N(6)-ethenoadenine dinucleotide
[CAS# 94516-25-3]

Identification

• Name: Pyridine 1,N(6)-ethenoadenine dinucleotide
• Synonyms: [[(2R,3S,4R)-3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-3,4-Dihydroxy-5-Pyridin-1-Ium-1-Yl-Tetrahydrofuran-2-Yl]Methyl Phosphate; [[(2R,3S,4R)-3,4-Dihydroxy-5-(3-Imidazo[2,1-F]Purinyl)-2-Tetrahy
• Molecular Formula: C₂₂H₂₆N₆O₁₃P₂
• Molecular Weight: 644.43
• CAS Registry Number: 94516-25-3
• SMILES: [N]1(C3=C(N=C1)C2=NC=C[N]2C=N3)C4O[C@@H]([C@@H](O)[C@H]4O)CO[P](O[P](OC[C@H]6O[C@@H]([N+]5=CC=CC=C5)[C@H](O)[C@@H]6O)([O-])=O)(=O)O
• InChI: 1S/C22H26N6O13P2/c29-15-12(39-21(17(15)31)26-5-2-1-3-6-26)8-37-42(33,34)41-43(35,36)38-9-13-16(30)18(32)22(40-13)28-11-24-14-19-23-4-7-27(19)10-25-20(14)28/h1-7,10-13,15-18,21-22,29-32H,8-9H2,(H-,33,34,35,36)/t12-,13-,15-,16-,17-,18-,21-,22?/m1/s1
• InChIKey: AOGLNQMZTPNQIN-GDJMGIOISA-N