Marvin 03260711422D 48 52 0 0 1 0 999 V2000 3.8896 2.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 1.2294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4047 2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 3.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 1.8564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 0.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8896 3.3489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 3.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6347 -0.1055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1032 3.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 4.3314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 -0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0216 0.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -0.5619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8420 0.7438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1776 -0.0099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6507 -1.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 1.4582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9846 -0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 2.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0795 1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 2.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0795 2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 3.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 4.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 3.6017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.4125 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.7145 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 0.7144 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 0.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 -0.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1821 -0.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -0.1526 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.7696 -0.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 1 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 44 1 6 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 1 0 0 0 13 17 1 6 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 6 0 0 0 25 28 1 1 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 5 9 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 24 25 1 0 0 0 0 32 33 1 0 0 0 0 18 42 1 0 0 0 0 42 37 1 0 0 0 0 37 40 1 0 0 0 0 42 38 2 0 0 0 0 40 19 1 0 0 0 0 40 39 2 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 44 47 1 0 0 0 0 47 45 2 0 0 0 0 47 46 1 0 0 0 0 47 48 1 0 0 0 0 M END > CHEBI:16474 > NADPH > The reduced form of NADP+; used in anabolic reactions, such as lipid and nucleic acid synthesis, which require NADPH as a reducing agent. > 3 > CHEBI:44286; CHEBI:7425; CHEBI:13399; CHEBI:13400; CHEBI:21904 > TPNH; reduced nicotinamide-adenine dinucleotide phosphate; Reduced nicotinamide adenine dinucleotide phosphate; NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE; NADPH; dihydronicotinamide-adenine dinucleotide phosphate > 2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate} > C21H30N7O17P3 > 745.42116 > 745.09110 > 0 > NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O > InChI=1S/C21H30N7O17P3/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/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 > ACFIXJIJDZMPPO-NNYOXOHSSA-N > 77911 > 53-57-6 > 53-57-6 > ECMDB04111 > C00005 > C00019545 > NDP > YMDB00426 > 16884311; 17371809; 8627598 $$$$