Marvin 09020812042D 53 58 0 0 1 0 999 V2000 0.7145 0.2475 0.0000 P 0 0 3 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 1 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 2 0 0 0 0 0 0 0 0 0 -2.1434 0.2474 0.0000 C 0 0 1 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 1 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 2 0 0 0 0 0 0 0 0 0 5.5905 0.1322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3355 -0.6524 0.0000 C 0 0 2 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 3 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 END > CHEBI:16238 > FAD > A flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group. > 3 > CHEBI:42388; CHEBI:4956; CHEBI:13315; CHEBI:21125 > Riboflavin 5'-adenosine diphosphate; Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine; FLAVIN-ADENINE DINUCLEOTIDE; Flavin adenine dinucleotide; FAD; adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]; Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine > adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate) > C27H33N9O15P2 > 785.55010 > 785.15714 > 0 > Cc1cc2nc3c(nc(=O)[nH]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,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 > VWWQXMAJTJZDQX-UYBVJOGSSA-N > 1208946 > 146-14-5 > 108834 > 146-14-5 > DB03147 > C00016 > D00005 > C00001500 > FAD > 24643482; 25108762 $$$$