Marvin 03270817012D 49 54 0 0 0 0 999 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -0.8250 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.7157 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9196 3.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1746 3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6225 2.5766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5606 3.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1127 4.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 3.5328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4807 2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1481 2.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8577 4.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9815 3.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1481 1.4382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8156 0.9533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5606 0.1687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7356 0.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4807 0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0456 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6002 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2507 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 1 2 0 0 0 0 16 2 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 0 0 0 0 11 5 1 0 0 0 0 5 19 1 6 0 0 0 6 5 1 0 0 0 0 4 6 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 6 0 0 0 12 7 1 0 0 0 0 11 8 1 0 0 0 0 15 9 2 0 0 0 0 17 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 13 47 1 1 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 47 21 1 0 0 0 0 21 23 1 0 0 0 0 23 22 2 0 0 0 0 23 25 1 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 27 26 2 0 0 0 0 27 49 1 0 0 0 0 27 28 1 0 0 0 0 34 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 39 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 37 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 38 2 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 40 37 1 1 0 0 0 40 44 1 0 0 0 0 41 40 1 0 0 0 0 41 42 1 0 0 0 0 41 46 1 6 0 0 0 42 43 1 0 0 0 0 42 45 1 6 0 0 0 43 48 1 1 0 0 0 43 44 1 0 0 0 0 48 49 1 0 0 0 0 M END > CHEBI:30404 > molybdopterin guanine dinucleotide > 3 > CHEBI:25374; CHEBI:39830; CHEBI:30403; CHEBI:30406; CHEBI:44012; CHEBI:45054; CHEBI:30405 > MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE; H2Dtpp-mGDP; GUANOSINE-5'-DIPHOSPHATE PTERIN MOIETY OF MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE; dtpp-mGDP; 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE > 5'-O-[{[({[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine > C20H26N10O13P2S2 > 740.55956 > 740.05975 > 0 > [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c1nc(N)[nH]c3=O)O2 > InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1 > VQAGYJCYOLHZDH-ILXWUORBSA-N > 128007-95-4 > 128007-95-4 > PGD $$$$