Thiazole-4-Carboxamide Adenine Dinucleotide
[CAS# 83285-83-0]

Identification

• Name: Thiazole-4-Carboxamide Adenine Dinucleotide
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(4-Carbamoylthiazol-2-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(2R,3S,4R,5R)-5-(4-Carbamoyl-2-Thiazolyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(4-Aminocarbonyl-1,3-Thiazol-2-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₅N₇O₁₄P₂S
• Molecular Weight: 669.45
• CAS Registry Number: 83285-83-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)C3=NC(=CS3)C(=O)N)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
• InChIKey: INQLNSVYIFCUML-QZTLEVGFSA-N