Mrv0541 05311207102D 55 60 0 0 0 0 999 V2000 -0.9926 -6.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -3.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -9.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 -6.8934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1831 -3.2299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7168 -10.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 -6.8072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7007 -7.5608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0865 -2.8174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3984 -3.4849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8883 -9.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 -10.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -8.1129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3984 -2.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2860 -9.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0707 -9.3880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 -10.2391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6729 -9.0909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 -10.4499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 -8.9334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -6.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 -7.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 -2.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 -11.5118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3556 0.9521 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8699 -2.4726 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5109 -2.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 -1.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -5.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 -4.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 -3.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -5.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -7.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 -2.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -4.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 -2.5588 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 -4.8826 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 -6.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -3.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -6.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 -6.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -3.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 -4.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -8.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 -2.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 6 2 1 1 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 12 6 1 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 21 19 2 0 0 0 0 22 20 2 0 0 0 0 23 3 2 0 0 0 0 23 7 1 0 0 0 0 24 4 2 0 0 0 0 24 8 1 0 0 0 0 25 13 1 0 0 0 0 25 19 1 0 0 0 0 26 14 1 0 0 0 0 26 20 1 0 0 0 0 27 15 2 0 0 0 0 27 19 1 0 0 0 0 28 16 2 0 0 0 0 28 20 1 0 0 0 0 29 3 1 0 0 0 0 29 13 1 0 0 0 0 17 29 1 1 0 0 0 30 4 1 0 0 0 0 30 14 1 0 0 0 0 18 30 1 1 0 0 0 9 31 1 6 0 0 0 10 32 1 6 0 0 0 11 33 1 6 0 0 0 34 15 1 0 0 0 0 35 16 1 0 0 0 0 41 2 1 0 0 0 0 42 1 1 0 0 0 0 43 5 1 0 0 0 0 43 17 1 0 0 0 0 44 6 1 0 0 0 0 44 18 1 0 0 0 0 12 45 1 6 0 0 0 46 36 1 0 0 0 0 46 37 1 0 0 0 0 46 38 2 0 0 0 0 46 41 1 0 0 0 0 47 39 1 0 0 0 0 47 40 2 0 0 0 0 47 42 1 0 0 0 0 47 45 1 0 0 0 0 5 48 1 6 0 0 0 6 49 1 6 0 0 0 9 50 1 1 0 0 0 10 51 1 1 0 0 0 11 52 1 1 0 0 0 12 53 1 1 0 0 0 17 54 1 6 0 0 0 18 55 1 6 0 0 0 M CHG 3 34 -1 35 -1 36 -1 M END > M2MDB001381 > M2MDB > [H][C@]1(COP(O)(=O)O[C@]2([H])[C@@]([H])(COP(O)([O-])=O)O[C@@]([H])(N3C=NC4=C3NC(=N)N=C4[O-])[C@]2([H])O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3[O-])[C@]([H])(O)[C@]1([H])O > InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/p-3/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 > ZEHOHLFQOXAZHX-MHARETSRSA-K > C20H23N10O15P2 > 705.4021 > 705.08195814 > 20 > 59.92824608742775 > 0 > 9 > -3 > 0 > 9-[(2R,3R,4S,5R)-4-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-imino-6-oxido-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-[(hydrogen phosphonatooxy)methyl]-3-hydroxyoxolan-2-yl]-2-imino-3,9-dihydro-2H-purin-6-olate > -0.97 > -4.378217397957758 > -2.22 > 1 > 6 > -3 > 1.9079166856427907 > 1.1260518392406187 > 5.157253194931004 > 382.74000000000007 > 188.35010000000008 > 10 > 0 > 4.56e+00 g/l > 9-[(2R,3R,4S,5R)-4-({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-imino-6-oxido-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-[(hydrogen phosphonatooxy)methyl]-3-hydroxyoxolan-2-yl]-2-imino-3H-purin-6-olate > 0 > ECMDB20579 > Linear dimeric GMP $$$$