447049 -OEChem-10051720163D 64 67 0 1 0 0 0 0 0999 V2000 -4.7091 1.4068 0.3085 P 0 0 1 0 0 0 0 0 0 0 0 0 -4.6786 -1.5128 0.6717 P 0 0 2 0 0 0 0 0 0 0 0 0 -0.0487 3.2591 0.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 -3.1895 -1.9511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 4.3569 -2.0271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 2.2416 -2.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4894 2.3930 -0.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 -3.1804 0.0355 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 -1.9319 1.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4108 -2.5052 0.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -3.1051 -2.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0653 -0.0753 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 1.6608 1.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 1.5685 -0.5262 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8779 -1.3775 2.2713 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9102 -1.9081 -0.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4793 -2.3237 -0.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 1.8507 0.5258 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 0.2464 1.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9596 2.3138 -0.5792 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 0.8965 0.2928 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3751 -0.7208 2.0175 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 3.1165 -1.4233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2268 2.2123 -1.3466 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3042 3.3610 0.0488 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9658 2.7984 -0.1533 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6063 -1.8609 -0.0023 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3843 -3.0036 -0.6428 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7709 -2.0676 -0.5946 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2680 2.3343 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 -2.4131 -2.0303 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8698 -2.7179 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 1.6679 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 0.9750 1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 0.6690 1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9007 0.2859 1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 -3.1792 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2295 1.8583 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2883 -4.4002 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 2.6903 -2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 1.1796 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7021 4.3702 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 3.6617 -0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0038 -0.8890 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -3.9293 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 -1.1691 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 1.3235 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 2.5485 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 -1.5008 -2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3839 -3.5655 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -1.8482 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 4.9254 -2.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 1.6853 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.9045 1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -1.8597 1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -2.9742 -3.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 2.3253 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 -5.2979 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -4.4004 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 -4.3905 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7109 1.2552 2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3505 -0.9831 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -1.1811 2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -1.0903 2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 23 1 0 0 0 0 5 52 1 0 0 0 0 6 24 1 0 0 0 0 6 53 1 0 0 0 0 7 30 1 0 0 0 0 8 29 1 0 0 0 0 8 37 1 0 0 0 0 9 27 1 0 0 0 0 9 55 1 0 0 0 0 10 32 1 0 0 0 0 11 31 1 0 0 0 0 11 56 1 0 0 0 0 13 61 1 0 0 0 0 15 64 1 0 0 0 0 17 37 2 0 0 0 0 18 26 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 34 2 0 0 0 0 19 35 1 0 0 0 0 20 33 1 0 0 0 0 20 38 2 0 0 0 0 21 36 2 0 0 0 0 21 38 1 0 0 0 0 22 36 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 30 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 32 1 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 35 2 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 M END > DB03478 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BFNOPXRXIQJDHO-DLFWLGJNSA-N/SDF?record_type=3d > [H][C@]1(O)O[C@]([H])(COP(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)[C@@]([H])(O)[C@@]1([H])OC(C)=O > InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 > BFNOPXRXIQJDHO-DLFWLGJNSA-N > C17H25N5O15P2 > 601.3524 > 601.082238179 > 15 > 64 > -1.9917262091372565 > 50.673801502416225 > 0 > 7 > 0 > 0 > [({[(2R,3R,4R,5S)-4-(acetyloxy)-3,5-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid > -1.67 > -5.720423477499784 > -2.23 > 1 > -2 > 4 > -2 > 2.2830270023306096 > 1.8542479141773074 > 4.9307312573526065 > 297.59000000000003 > 120.27479999999997 > 11 > 0 > 3.54e+00 g/l > biotin > 0 $$$$