Marvin 01281114132D 96109 0 0 1 0 999 V2000 11.9318 -6.5886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9318 -5.2539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1467 -5.2539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1467 -6.5886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 -2.6214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.8589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -4.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -3.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -5.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -5.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -5.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -4.2713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9331 -6.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -6.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3621 -6.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3621 -5.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 -7.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 -2.6213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -2.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3621 -7.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 -8.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6664 -8.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3983 -8.8079 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7025 -9.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2749 -9.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0068 -9.6946 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7386 -10.0754 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3233 -15.6394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 -15.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2206 -14.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7453 -14.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5590 -14.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8479 -15.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9399 -13.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 -12.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6232 -13.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6617 -15.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 -16.1399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8914 -12.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1531 -13.2654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5748 -12.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9557 -11.9451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7694 -12.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7589 -12.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 -14.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -11.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 -10.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8599 -9.2211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5743 -8.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5743 -7.9836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8598 -7.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1455 -7.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1455 -8.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8598 -6.7461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1454 -6.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 -6.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 -7.5713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1454 -5.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 -5.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7164 -5.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7164 -6.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 -4.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2888 -9.2213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 -9.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7164 -3.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1439 -3.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4121 -3.4154 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6802 -3.0347 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3760 -2.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8036 -2.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0717 -2.1480 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3399 -1.7671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.7552 3.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5689 3.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 2.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5195 2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2306 3.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 1.6556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7170 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 1.4354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4168 3.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0937 4.2973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1871 1.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9254 1.4228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5037 0.8344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1228 0.1025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3091 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3196 0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0614 2.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4909 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0357 -1.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0636 -5.8743 0.0000 Mo 0 0 0 0 0 0 0 0 0 0 0 0 11.0636 -5.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 5 1 0 0 0 0 9 10 1 0 0 0 0 8 9 2 0 0 0 0 7 8 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 14 9 1 0 0 0 0 13 14 1 0 0 0 0 12 13 1 0 0 0 0 11 12 1 0 0 0 0 8 11 1 0 0 0 0 18 13 1 0 0 0 0 17 18 2 0 0 0 0 16 17 1 0 0 0 0 15 16 1 0 0 0 0 12 15 1 0 0 0 0 19 22 1 0 0 0 0 16 19 1 0 0 0 0 6 20 1 0 0 0 0 10 21 2 0 0 0 0 18 3 1 0 0 0 0 4 17 1 0 0 0 0 22 24 1 0 0 0 0 24 23 2 0 0 0 0 24 26 1 0 0 0 0 24 25 1 0 0 0 0 26 28 1 0 0 0 0 28 27 2 0 0 0 0 28 49 1 0 0 0 0 28 29 1 0 0 0 0 35 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 40 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 38 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 39 2 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 41 38 1 1 0 0 0 41 45 1 0 0 0 0 42 41 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 6 0 0 0 43 44 1 0 0 0 0 43 46 1 6 0 0 0 44 48 1 1 0 0 0 44 45 1 0 0 0 0 48 49 1 0 0 0 0 63 1 1 0 0 0 0 2 62 1 0 0 0 0 55 50 1 0 0 0 0 54 55 1 0 0 0 0 53 54 2 0 0 0 0 52 53 1 0 0 0 0 51 52 2 0 0 0 0 50 51 1 0 0 0 0 59 54 1 0 0 0 0 58 59 1 0 0 0 0 57 58 1 0 0 0 0 56 57 1 0 0 0 0 53 56 1 0 0 0 0 63 58 1 0 0 0 0 62 63 2 0 0 0 0 61 62 1 0 0 0 0 60 61 1 0 0 0 0 57 60 1 0 0 0 0 64 67 1 0 0 0 0 61 64 1 0 0 0 0 51 65 1 0 0 0 0 55 66 2 0 0 0 0 67 69 1 0 0 0 0 69 68 2 0 0 0 0 69 71 1 0 0 0 0 69 70 1 0 0 0 0 71 73 1 0 0 0 0 73 72 2 0 0 0 0 73 94 1 0 0 0 0 73 74 1 0 0 0 0 80 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 76 85 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 83 78 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 80 84 2 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 86 83 1 1 0 0 0 86 90 1 0 0 0 0 87 86 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 6 0 0 0 88 89 1 0 0 0 0 88 91 1 6 0 0 0 89 93 1 1 0 0 0 89 90 1 0 0 0 0 93 94 1 0 0 0 0 3 95 1 0 0 0 0 4 95 1 0 0 0 0 2 95 1 0 0 0 0 1 95 1 0 0 0 0 95 96 2 0 0 0 0 M CHG 4 25 -1 29 -1 70 -1 74 -1 M END > CHEBI:60539 > Mo(=O)-bis(molybdopterin guanine dinucleotide)(4-) > An organophosphate oxoanion arising from deprotonation of the four diphosphate OH groups of molybdate-bis(molybdopterin guanine dinucleotide); major species at pH 7.3. > 3 > molybdate-bis(molybdopterin guanine dinucleotide) tetraanion; Mo-bis(molybdopterin guanine dinucleotide); Mo(=O)-bis(molybdopterin guanine dinucleotide) tetraanion > C40H44MoN20O27P4S4 > 1584.99000 > 1585.95941 > -4 > Nc1nc2NC3OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)C4=C(S[Mo]5(=O)(S4)SC4=C(S5)C5Nc6c(NC5OC4COP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)nc(N)[nH]c6=O)C3Nc2c(=O)[nH]1 > InChI=1S/2C20H26N10O13P2S2.Mo.O/c2*21-19-26-13-7(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;;/h2*3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;/q;;+4;/p-8/t2*4-,5?,6?,9-,10-,17?,18-;;/m11../s1 > SPLYCLQDZVSNSU-QLYGWHLRSA-F > 11250197 $$$$