烟酰胺腺嘌呤双核苷酸磷酸盐(53-59-8)红外图谱(IR1)
分子式:C21H28N7O17P3
分子量: 743.41
InChI:InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/s3
InChIKey: XJLXINKUBYWONI-WFYQBQJJNA-N
Smiles:O([C@@H]1[C@@H]([C@@H](COP(O)(=O)OP([O-])(=O)OC[C@@H]2[C@H]([C@@H](O)[C@H]([N+]3=CC=CC(C(=O)N)=C3)O2)O)O[C@H]1N1C=NC2C(=NC=NC1=2)N)O)P(O)(O)=O |&1:1,2,3,15,16,17,19,32,r|