445675 -OEChem-05231307142D 66 68 0 1 0 0 0 0 0999 V2000 9.2208 -0.8683 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.4888 -0.8683 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.7861 0.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 -1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5509 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7692 -1.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5509 -2.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 -0.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 -3.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -1.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -1.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 2.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -1.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 4.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.7477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 0.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.4702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 -0.3683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6849 -0.8683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9771 -0.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6849 -1.8683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3080 -0.0319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8907 -0.3683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8080 0.8341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8189 -2.3683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9528 -0.8683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7567 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 -3.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 1.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2218 -1.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6849 -2.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 -0.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4107 -0.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -2.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 -0.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 -1.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 -1.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -3.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4295 -3.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3558 0.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0879 -0.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 -1.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5509 -2.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 -0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 -4.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 3.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5728 2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 2.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3328 2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -2.2713 0.0000 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 31 5 1 6 0 0 0 24 6 1 1 0 0 0 6 54 1 0 0 0 0 25 7 1 1 0 0 0 7 55 1 0 0 0 0 26 8 1 6 0 0 0 8 56 1 0 0 0 0 27 9 1 1 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 29 20 1 6 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 23 21 1 6 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 6 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 33 1 1 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 > 445675 > 1 > 1080 > 17 > 9 > 10 > AAADceB7PgMAAAAAAAAAAAAAAAAAASAAAAAkQAAAAAAAAAAAAAAAHgAQCCAACDzxgAcDCAPABxCIQCFWUICAAAAAAgAIAIAIAECTEAIAgAAPQAAPFyKXAMHwcAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate > [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > 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 > -6.6 > 607.08157 > C17H27N3O17P2 > 607.353704 > CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O > CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O > 300 > 607.08157 > 0 > 39 > 9 > 0 > 0 > 0 > 0 > 1 > 6 > 1 5 255 > 29 20 6 20 34 8 20 35 8 23 21 6 22 34 8 22 39 8 28 32 6 30 33 5 35 37 8 37 39 8 31 5 6 24 6 5 25 7 5 26 8 6 27 9 5 $$$$