Mrv0541 02231219092D 58 63 0 0 1 0 999 V2000 17.9564 -14.9025 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 19.1544 -9.3137 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 18.2558 -13.5053 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 18.8549 -10.7110 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 18.5554 -12.1080 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 17.4243 -17.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4160 -6.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3597 -18.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3628 -16.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4590 -5.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5114 -6.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2098 -15.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9008 -8.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7027 -14.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4080 -10.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7414 -14.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9394 -9.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1713 -15.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1567 -21.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3694 -9.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8089 -12.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3018 -11.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6437 -12.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2427 -10.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8680 -14.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4670 -11.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3404 -11.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7703 -12.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6518 -19.2039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7509 -5.5639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1567 -19.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6518 -20.5317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4881 -5.1537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3661 -4.1919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4422 -20.2802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4099 -3.1299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0123 -3.4269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7277 -19.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6932 -18.1662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6946 -17.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9080 -18.4197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9103 -17.0848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2026 -5.7965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6863 -6.4648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4174 -6.0501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2003 -7.1313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6568 -16.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4538 -7.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8711 -19.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7531 -4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1332 -19.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9707 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8711 -20.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 -4.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1567 -20.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7969 -3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4422 -19.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1946 -3.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 1 0 0 0 1 18 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 1 0 0 0 2 20 2 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 6 0 0 0 3 25 2 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 1 0 0 0 4 26 2 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 27 1 1 0 0 0 5 28 2 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 39 8 1 1 0 0 0 40 9 1 1 0 0 0 43 10 1 6 0 0 0 44 11 1 6 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 19 55 2 0 0 0 0 41 29 1 6 0 0 0 29 49 1 0 0 0 0 29 51 1 0 0 0 0 45 30 1 1 0 0 0 30 50 1 0 0 0 0 30 52 1 0 0 0 0 31 49 1 0 0 0 0 31 57 1 0 0 0 0 32 51 2 0 0 0 0 32 53 1 0 0 0 0 33 52 2 0 0 0 0 33 54 1 0 0 0 0 34 50 2 0 0 0 0 34 58 1 0 0 0 0 35 55 1 0 0 0 0 35 57 2 0 0 0 0 36 56 1 0 0 0 0 36 58 2 0 0 0 0 37 56 1 0 0 0 0 38 57 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 42 47 1 6 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 46 48 1 1 0 0 0 49 53 2 0 0 0 0 50 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 2 0 0 0 0 M END > BMDB0001472 > bmdb > NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O > InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)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)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 > CNMILLPGDWDFCZ-INFSMZHSSA-N > C20H29N10O23P5 > 932.3663 > 932.009509844 > 25 > 72.8682050247885 > 0 > 12 > 0 > 0 > {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > 0.11 > -9.462315921503766 > -2.02 > 1 > 6 > -4 > 1.1832416079192827 > 0.41808162379153657 > 4.999593421063834 > 496.1799999999999 > 177.96879999999993 > 16 > 0 > 8.95e+00 g/l > [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid > 0 > BMDB0001472 > Guanosine pentaphosphate adenosine > P1-(5'-Adenosyl)-P5-(5'-guanosyl) pentaphosphate $$$$