981 -OEChem-03292403132D 49 50 0 1 0 0 0 0 0999 V2000 6.8909 -4.8014 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -2.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -4.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -3.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -5.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -4.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -5.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6707 5.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 4.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 3.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6652 4.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -0.7490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.7898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -0.4702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 2.5124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -2.3368 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7208 -3.2878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2208 -1.7490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7208 -3.2878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3086 -4.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 3.3214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4842 3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 4.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 4.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -2.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -3.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -3.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -4.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -4.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -4.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 -0.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4416 -0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 -1.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 2.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 2.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3133 2.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0414 2.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0953 -5.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 -4.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 5.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4309 4.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 37 1 0 0 0 0 4 19 1 0 0 0 0 4 38 1 0 0 0 0 5 22 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 8 26 2 0 0 0 0 10 29 1 0 0 0 0 10 48 1 0 0 0 0 11 29 2 0 0 0 0 12 30 1 0 0 0 0 12 49 1 0 0 0 0 13 30 2 0 0 0 0 14 20 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END > 981 > 1 > 718 > 14 > 8 > 9 > AAADceBzvAIAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgAQCCAACDzhlgYFuBfMFxCoQQfxfICAgC0XEKABUIGoVECDWBpAyCAeQIgPFgLTAGDzMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]butanedioic acid > 2-[[[5-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-4-imidazolyl]-oxomethyl]amino]butanedioic acid > 2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid > 2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid > 2-[[5-azanyl-1-[3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]butanedioic acid > 2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]succinic acid > InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27) > NAQGHJTUZRHGAC-UHFFFAOYSA-N > -4.3 > 454.07370905 > C13H19N4O12P > 454.28 > C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)O > C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)O > 264 > 454.07370905 > 0 > 30 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 14 3 14 23 8 14 24 8 15 24 8 15 25 8 21 22 3 23 25 8 27 28 3 18 3 3 19 4 3 $$$$