Mrv2104 05272302402D 40 42 0 0 0 0 999 V2000 -11.2743 0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9888 -0.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5598 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5598 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8454 0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8454 1.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1309 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1309 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4164 0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4164 1.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7020 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7020 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9875 0.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 -0.0363 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.6855 -0.7508 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8605 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5585 -0.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8441 -0.0363 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.4316 -0.7508 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2566 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 0.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 1.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 2.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 0.5675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 0.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 2.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 3.3064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 2.1504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 30 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 33 39 1 0 0 0 0 M CHG 2 15 -1 19 -1 M END > NP0339902 > NP-MRD > NC1=NC2=C(N=CN2C2OC(COP([O-])(=O)OP([O-])(=O)OC(=O)C(O)C(O)C(O)C(O)C=O)C(O)C2O)C(=O)N1 > InChI=1/C16H23N5O17P2/c17-16-19-12-6(13(29)20-16)18-3-21(12)14-10(27)8(25)5(36-14)2-35-39(31,32)38-40(33,34)37-15(30)11(28)9(26)7(24)4(23)1-22/h1,3-5,7-11,14,23-28H,2H2,(H,31,32)(H,33,34)(H3,17,19,20,29)/p-2 > JMGRTSWUCIVEIG-UHFFFAOYNA-L > C16H21N5O17P2 > 617.311 > 617.041865392 > 17 > 61 > 50.706239014390775 > 0 > 8 > -2 > 0 > ({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)[(2,3,4,5-tetrahydroxy-6-oxohexanoyl)oxy]phosphinate > -6.133430054333331 > 1 > 3 > -2 > 3.022963375079927 > 1.272586910947016 > -3.689776791630394 > 357.99999999999994 > 117.8443 > 13 > 0 > {[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy((2,3,4,5-tetrahydroxy-6-oxohexanoyl)oxy)phosphinate > 0 > NP0339902 > GDP-guluronate $$$$