Thionicotinamide adenine dinucleotide

Properties Image Occurences in reactions MNX_ID MNXM169229 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C21H27N7O13P2S charge 0 mass 679.08628 reference sabiorkM:26366 InChIKey DQRRIGAXTAXHLR-NNYOXOHSSA-N InChI InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-14(31)13(30)11(39-21)6-37-42(33,34)41-43(35,36)40-16-10(5-29)38-20(15(16)32)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 SMILES N=C([S-])c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]2O)c1

Parent-child relations graph

Deprecated MNXref IDs graph