Marvin 04131215252D 57 62 0 0 1 0 999 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 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 -5.0013 -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 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 -5.7158 -0.9901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 -2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 -1.4026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 1 42 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 30 4 1 0 0 0 0 4 26 1 1 0 0 0 1 5 1 0 0 0 0 5 40 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 10 7 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 29 1 0 0 0 0 10 53 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 53 1 0 0 0 0 13 17 2 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 15 19 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 17 22 1 0 0 0 0 29 18 1 1 0 0 0 22 25 1 0 0 0 0 30 24 1 6 0 0 0 40 28 2 0 0 0 0 29 30 1 0 0 0 0 40 31 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 6 0 0 0 36 43 1 1 0 0 0 36 37 1 0 0 0 0 37 39 1 6 0 0 0 40 41 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 2 0 0 0 0 44 47 1 0 0 0 0 45 48 2 0 0 0 0 46 49 1 0 0 0 0 46 48 1 0 0 0 0 47 50 2 0 0 0 0 49 51 2 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 53 56 1 0 0 0 0 56 54 2 0 0 0 0 56 55 2 0 0 0 0 56 57 1 0 0 0 0 M END > CHEBI:45686 > N(5)-sulfo-FADH2 > A flavin adenine dinucleotide that is FADH2 bearing an N-sulfo substituent at position 5 of the flavin ring system.. > 3 > adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-5-sulfo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate) > C27H35N9O18P2S > 867.62900 > 867.12960 > 0 > Cc1cc2N(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)c3[nH]c(=O)[nH]c(=O)c3N(c2cc1C)S(O)(=O)=O > InChI=1S/C27H35N9O18P2S/c1-10-3-12-13(4-11(10)2)36(57(48,49)50)18-24(32-27(43)33-25(18)42)34(12)5-14(37)19(39)15(38)6-51-55(44,45)54-56(46,47)52-7-16-20(40)21(41)26(53-16)35-9-31-17-22(28)29-8-30-23(17)35/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,48,49,50)(H2,32,33,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 > DNHISRBGMCVSPB-UYBVJOGSSA-N > SFD $$$$