CDK 2/12/10,15:26 53 58 0 0 0 0 0 0 0 0999 V2000 0.7145 0.2475 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.9901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1448 1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 -0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 -0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0256 -1.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 -1.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2475 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 0.3872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2174 1.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 0.3872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8674 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4549 2.6007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6924 1.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 1 43 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 31 4 1 0 0 0 0 4 27 1 1 0 0 0 1 5 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 30 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 14 1 0 0 0 0 13 18 2 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 16 20 1 0 0 0 0 17 23 2 0 0 0 0 18 24 1 0 0 0 0 18 23 1 0 0 0 0 30 19 1 1 0 0 0 23 26 1 0 0 0 0 31 25 1 6 0 0 0 41 29 2 0 0 0 0 30 31 1 0 0 0 0 41 32 1 0 0 0 0 32 33 1 0 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 6 0 0 0 37 44 1 1 0 0 0 37 38 1 0 0 0 0 38 40 1 6 0 0 0 41 42 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 2 0 0 0 0 45 48 1 0 0 0 0 46 49 2 0 0 0 0 47 50 1 0 0 0 0 47 49 1 0 0 0 0 48 51 2 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 42 -1 M CHG 1 43 -1 M END > CHEBI:57692 > FAD(3-) > Trianion of flavin adenine dinucleotide arising from deprotonation of the diphosphate OH groups and the imide nitrogen. > 3 > FAD trianion; FAD > C27H30N9O15P2 > 782.52590 > 782.13531 > -3 > Cc1cc2nc3c(nc(=O)[n-]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C > InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H5,28,29,30,34,42,43,44,45,46,47)/p-3/t14-,15+,16+,19-,20+,21+,26+/m0/s1 > IMGVNJNCCGXBHD-UYBVJOGSSA-K $$$$