165491 -OEChem-10051720283D 71 75 0 1 0 0 0 0 0999 V2000 3.3505 -2.6483 0.0595 P 0 0 1 0 0 0 0 0 0 0 0 0 4.0821 -0.1486 1.4283 P 0 0 2 0 0 0 0 0 0 0 0 0 -0.8230 -1.5243 -0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 1.6374 0.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 -3.8110 0.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -2.9913 -2.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 4.5212 0.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 4.7566 1.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7741 -2.4965 0.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5521 0.1434 1.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0903 -1.7455 1.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -4.1609 0.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 0.0080 2.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 -2.3111 -1.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 0.6664 0.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 -1.4795 3.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5709 -1.8580 3.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 -0.3215 -1.9578 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 1.8033 1.1056 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9525 1.3851 -3.3473 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -0.4489 -2.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 1.2512 -3.5623 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 2.8093 -4.7332 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 -3.6977 -0.5339 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0133 -2.7736 -1.6863 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5719 -2.9263 0.1873 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8888 -1.4086 -1.0264 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3625 3.6903 1.4371 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1186 3.5443 1.7232 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7667 2.2635 1.0798 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5294 2.5236 0.6775 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8217 -3.2637 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 1.4509 2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 0.0733 -2.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 0.4958 -2.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 0.7077 1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 2.2729 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 1.1325 -3.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.0154 2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 1.6211 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 1.7276 -3.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 0.4806 1.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 0.2079 -2.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 -1.1735 3.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 -4.7058 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -2.8973 -2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6099 -3.0654 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -1.1302 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 4.1325 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2753 3.1557 2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 2.2424 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 2.9792 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -3.0384 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 -4.3263 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 1.9228 2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 1.3479 3.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 -4.3638 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4666 -2.3222 -2.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 4.5564 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 5.3962 2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 0.3966 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 0.4167 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 3.1657 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0817 1.9937 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9185 -0.0329 2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8276 -0.1367 -2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5935 -4.5252 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -0.5180 3.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1701 3.2254 -5.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 3.1674 -4.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 -2.2852 3.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 14 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 15 2 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 24 1 0 0 0 0 5 57 1 0 0 0 0 6 25 1 0 0 0 0 6 58 1 0 0 0 0 7 28 1 0 0 0 0 7 59 1 0 0 0 0 8 29 1 0 0 0 0 8 60 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 12 67 1 0 0 0 0 13 68 1 0 0 0 0 16 44 1 0 0 0 0 16 71 1 0 0 0 0 17 44 2 0 0 0 0 18 27 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 31 1 0 0 0 0 19 36 1 0 0 0 0 19 37 2 0 0 0 0 20 35 2 0 0 0 0 20 38 1 0 0 0 0 21 34 2 0 0 0 0 21 43 1 0 0 0 0 22 41 1 0 0 0 0 22 43 2 0 0 0 0 23 41 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 32 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 33 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 38 1 0 0 0 0 35 61 1 0 0 0 0 36 39 2 0 0 0 0 36 62 1 0 0 0 0 37 40 1 0 0 0 0 37 63 1 0 0 0 0 38 41 2 0 0 0 0 39 42 1 0 0 0 0 39 44 1 0 0 0 0 40 42 2 0 0 0 0 40 64 1 0 0 0 0 42 65 1 0 0 0 0 43 66 1 0 0 0 0 M CHG 1 19 1 M END > DB04099 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SENPVEZBRZQVST-HISDBWNOSA-O/SDF?record_type=3d > NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 > InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 > SENPVEZBRZQVST-HISDBWNOSA-O > C21H27N6O15P2 > 665.4178 > 665.100962248 > 16 > 71 > -1.9915684294558313 > 58.093266199583226 > 0 > 8 > 1 > 0 > 1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1lambda5-pyridin-1-ylium > -0.89 > -9.379577704246715 > -2.57 > 1 > -2 > 5 > -2 > 1.803217819005326 > 1.7115565900781107 > 4.933638568927508 > 312.47 > 140.17469999999992 > 11 > 0 > 1.88e+00 g/l > biotin > 0 $$$$