Marvin 08091112102D 48 53 0 0 1 0 999 V2000 6.2077 -6.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2077 -7.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9222 -6.3155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9222 -7.9655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6368 -6.7280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6368 -7.5530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7802 -6.3155 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -5.4905 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 -5.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0643 -7.9655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0656 -6.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0656 -7.5530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3512 -7.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 -7.9655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -7.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -6.7280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4946 -7.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 -8.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 -7.9655 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 -7.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9235 -7.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6379 -8.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6379 -7.9655 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6379 -7.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8418 -3.1661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0969 -3.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5447 -4.5639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7378 -4.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4828 -3.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 -2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6578 -3.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4029 -4.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0703 -4.8773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7800 -2.2100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0703 -5.7023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7378 -6.1872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4828 -6.9718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6578 -6.9718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4029 -6.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9678 -7.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5225 -5.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -7.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1729 -7.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3525 -7.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6368 -5.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6368 -8.3780 0.0000 H 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 6 5 1 0 0 0 0 4 6 1 0 0 0 0 6 14 1 0 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 44 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 44 19 1 0 0 0 0 19 21 1 0 0 0 0 21 20 2 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 25 24 2 0 0 0 0 25 46 1 0 0 0 0 25 26 1 0 0 0 0 32 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 35 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 36 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 37 35 1 1 0 0 0 37 41 1 0 0 0 0 38 37 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 6 0 0 0 39 40 1 0 0 0 0 39 42 1 6 0 0 0 40 45 1 1 0 0 0 40 41 1 0 0 0 0 45 46 1 0 0 0 0 5 47 1 6 0 0 0 6 48 1 6 0 0 0 M END > CHEBI:62728 > molybdopterin adenine dinucleotide > A molybdopterin dinucleotide resulting from the formal condensation of the phosphate groups of molybdopterin and adenosine 5'-monophosphate to give a diphosphate linkage. > 3 > MPT-AMP; adenylyl-molybdopterin; adenylated molybdopterin > 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]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine > C20H26N10O12P2S2 > 724.55800 > 724.06483 > 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)n1cnc3c(N)ncnc13)O2 > InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/t5-,6-,7+,10-,11-,18-,19-/m1/s1 > XJXFAXLUOKQPAQ-YPRLVJTJSA-N > CPD-8122 > 15504727; 15632135 $$$$