445675 -OEChem-10051720143D 66 68 0 1 0 0 0 0 0999 V2000 -3.5504 1.0680 -1.0356 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.5007 2.5186 -2.5689 P 0 0 2 0 0 0 0 0 0 0 0 0 1.4515 1.1331 0.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 -1.8145 0.6624 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 0.1728 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -1.8129 2.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 3.5035 1.5043 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -3.6403 0.2283 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 2.0003 0.4068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.9857 -1.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -3.7112 -1.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 1.5433 -2.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.0023 -1.5942 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1441 2.1915 -0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 -1.1898 1.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 2.0103 -3.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 1.1379 4.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 3.9836 -2.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 -4.0503 -2.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -0.5062 -0.1403 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1478 0.6631 2.2449 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 -2.6126 -0.3863 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 -0.6364 1.9203 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6112 -1.5644 1.3565 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7687 3.0827 0.1508 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2257 -2.9002 0.9264 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6322 1.8721 -0.1342 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3638 2.5131 0.0084 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8350 0.7557 0.5180 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4526 -2.6864 0.0321 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8698 -0.5171 0.9504 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8441 2.5435 -1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -3.9947 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 -1.4125 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 -0.8361 -1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 1.4394 3.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3367 -1.9840 -1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 2.7341 3.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -2.9849 -1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 -1.0792 2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 -1.0972 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 3.9360 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 -3.4807 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.7279 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 3.0015 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0877 0.6550 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 -2.2453 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 0.0541 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 3.5802 -1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 1.9778 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5494 -4.4526 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 -4.7043 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 1.0416 1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -2.2264 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 4.2503 1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 -3.1622 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 1.1583 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.1207 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 -4.5555 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 -3.2787 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 -2.2079 -2.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 2.5498 3.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1045 3.2098 4.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 3.4033 2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 0.3358 -1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 1.0581 -4.0739 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 > DB03397 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LFTYTUAZOPRMMI-CFRASDGPSA-N/SDF?record_type=3d > CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(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-CFRASDGPSA-N > C17H27N3O17P2 > 607.3537 > 607.081569477 > 14 > 66 > -2.001910539568634 > 50.388706252002585 > 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,5S,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 > 300.40999999999997 > 117.55709999999996 > 10 > 0 > 1.14e+01 g/l > biotin > 0 $$$$