23700 -OEChem-10051719503D 66 68 0 1 0 0 0 0 0999 V2000 -3.5195 1.4159 -0.8281 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.3963 3.0926 -1.9848 P 0 0 2 0 0 0 0 0 0 0 0 0 1.6243 1.1247 0.4068 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 -1.7589 0.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 0.3383 -0.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 -2.2135 1.9369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 3.3982 1.4945 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 -3.8628 1.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1492 1.7831 0.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 2.0967 -1.4692 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 -3.2210 -2.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 2.1381 -2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 0.5268 -1.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 2.3630 0.1813 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 -1.3925 1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 3.3067 -3.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 0.4461 4.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 4.3570 -1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -4.1592 -2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0914 -0.6030 -0.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 0.2645 2.3062 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 -2.7685 -0.4194 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 -0.9259 1.7360 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7233 -1.7732 1.0077 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0553 2.9933 0.1394 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3832 -2.9865 0.3422 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8453 1.7347 -0.1501 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6191 2.5091 -0.0056 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9827 0.6652 0.4976 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5500 -2.5326 -0.5447 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9288 -0.5735 0.7888 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1027 2.5759 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3181 -3.6981 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 -1.5676 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 -0.8812 -1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 0.8484 3.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -2.0307 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8328 2.0612 3.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -3.0909 -1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -1.5156 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -1.1647 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 3.8347 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 -3.5490 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 1.5896 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 3.0336 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 0.5455 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -1.9005 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -0.0904 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 3.6099 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 1.9680 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -4.1359 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6331 -4.4728 -1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 0.7187 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -2.7405 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6924 4.1816 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 -3.4857 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 0.9157 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 -0.1221 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5246 -3.9798 -2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 -3.4762 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -2.2134 -2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1887 1.7603 4.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 2.5472 4.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8108 2.7726 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4267 0.9641 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 2.5184 -4.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 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 16 1 0 0 0 0 2 18 2 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 31 1 0 0 0 0 6 24 1 0 0 0 0 6 54 1 0 0 0 0 7 25 1 0 0 0 0 7 55 1 0 0 0 0 8 26 1 0 0 0 0 8 56 1 0 0 0 0 9 27 1 0 0 0 0 9 57 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 59 1 0 0 0 0 13 65 1 0 0 0 0 15 34 2 0 0 0 0 16 66 1 0 0 0 0 17 36 2 0 0 0 0 19 39 2 0 0 0 0 20 29 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 21 53 1 0 0 0 0 22 34 1 0 0 0 0 22 39 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 31 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 27 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 26 30 1 0 0 0 0 26 43 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 46 1 0 0 0 0 30 33 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 35 37 2 0 0 0 0 35 58 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 M END > DB02196 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LFTYTUAZOPRMMI-NESSUJCYSA-N/SDF?record_type=3d > CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O > InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1 > LFTYTUAZOPRMMI-NESSUJCYSA-N > C17H27N3O17P2 > 607.3537 > 607.081569477 > 14 > 66 > -2.001910539568634 > 51.052652153033236 > 0 > 9 > 0 > 0 > {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > -1.41 > -5.284643272333334 > -1.72 > 1 > -2 > 3 > -2 > 3.1791675779187587 > 1.737213537795745 > -3.518527925320075 > 300.4099999999999 > 117.55709999999999 > 10 > 0 > 1.14e+01 g/l > biotin > 0 $$$$