Mrv1652310011600462D 58 63 0 0 1 0 999 V2000 -4.1753 -8.9365 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 -8.0959 -11.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 -11.9534 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 -4.8428 -9.4214 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 -6.6669 -12.3659 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 -5.6274 -9.1665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3984 -3.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1123 -9.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0865 -2.8174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3814 -12.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6669 -11.5409 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 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 -10.5013 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 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3814 -13.6034 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 -8.0959 -12.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3814 -11.1284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8823 -12.6208 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 1.3556 -1.5229 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 -5.8823 -11.2860 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 -5.8823 -8.3818 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 -6.9373 -9.8339 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 1.3556 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 -8.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -6.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 -5.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -4.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -6.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 -6.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 -8.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -4.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 -10.2464 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 -2.9267 -7.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 -5.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 -7.6311 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -5.0203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 -6.3257 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.9718 -8.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -4.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4422 -9.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 -3.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4868 -10.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -2.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -11.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 -1.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 7 2 1 1 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 21 14 1 0 0 0 0 22 20 2 0 0 0 0 23 3 2 0 0 0 0 23 14 1 0 0 0 0 24 3 1 0 0 0 0 24 15 2 0 0 0 0 25 4 2 0 0 0 0 25 8 1 0 0 0 0 26 5 2 0 0 0 0 26 9 1 0 0 0 0 27 16 1 0 0 0 0 27 20 1 0 0 0 0 28 17 2 0 0 0 0 28 20 1 0 0 0 0 29 4 1 0 0 0 0 29 15 1 0 0 0 0 18 29 1 1 0 0 0 30 5 1 0 0 0 0 30 16 1 0 0 0 0 19 30 1 1 0 0 0 10 31 1 1 0 0 0 11 32 1 1 0 0 0 12 33 1 1 0 0 0 13 34 1 1 0 0 0 35 17 1 0 0 0 0 42 1 1 0 0 0 0 43 2 1 0 0 0 0 44 6 1 0 0 0 0 44 18 1 0 0 0 0 45 7 1 0 0 0 0 45 19 1 0 0 0 0 48 36 1 0 0 0 0 48 37 2 0 0 0 0 48 42 1 0 0 0 0 48 46 1 0 0 0 0 49 38 1 0 0 0 0 49 39 2 0 0 0 0 49 43 1 0 0 0 0 49 47 1 0 0 0 0 50 40 1 0 0 0 0 50 41 2 0 0 0 0 50 46 1 0 0 0 0 50 47 1 0 0 0 0 6 51 1 6 0 0 0 7 52 1 6 0 0 0 10 53 1 6 0 0 0 11 54 1 6 0 0 0 12 55 1 6 0 0 0 13 56 1 6 0 0 0 18 57 1 6 0 0 0 19 58 1 6 0 0 0 M END > BMDB0001459 > bmdb > [H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@@]([H])(O)[C@@]2([H])O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@@]([H])(O)[C@@]1([H])O > InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10+,11+,12+,13+,18-,19-/m1/s1 > PMJUJCUPNRCBNP-BXGBUAHJSA-N > C20H27N10O17P3 > 772.41 > 772.076850443 > 21 > 77 > 63.748643707187775 > 0 > 11 > 0 > 0 > [({[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid > -1.16 > -6.895370077665522 > -2.19 > 1 > 6 > -3 > 2.5984242360487735 > 0.9008637105736685 > 4.022033868919303 > 404.11000000000007 > 167.23750000000004 > 12 > 0 > 4.95e+00 g/l > {[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid > 0 > BMDB0001459 > Guanosine triphosphate adenosine > Guanosine 5'-triphosphate-5'-adenosine; Guanosine triphosphate, 5'>5'-ester with adenosine (7CI); P1-Adenosine-5' P3-guanosine-5' triphosphate $$$$