443199 -OEChem-12241909153D 58 59 0 1 0 0 0 0 0999 V2000 1.0041 3.8278 1.1340 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.5365 2.8827 -1.1877 P 0 0 1 0 0 0 0 0 0 0 0 0 3.0212 -0.7766 1.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0337 0.3526 -0.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -1.0541 -2.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 2.7484 0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 3.1821 0.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 2.4043 -1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 -1.4680 -0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -4.0989 -1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2279 0.8580 -2.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6135 3.6963 2.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 5.2239 0.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 -1.5567 2.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 4.3630 -1.8386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 1.9415 -1.8193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 -2.4000 0.1979 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -4.4451 -0.3042 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 -4.7930 0.4637 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 0.6190 -0.4825 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8376 -0.5497 -1.0211 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2610 0.6075 0.9934 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9293 -1.5469 0.1211 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9951 1.3965 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6665 -1.9570 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 -3.6757 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 -0.3347 0.0193 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9156 0.9430 -0.6938 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4443 -2.6813 1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 1.1838 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -0.3167 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9256 -0.5631 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 -4.0126 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 1.5582 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7987 -0.2547 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 0.9740 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 -2.1676 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 1.0045 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 1.3357 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 -0.4256 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 -0.3260 -2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 -0.9874 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 1.8172 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -2.3427 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8348 0.3795 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 1.2734 0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6611 0.4882 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 -0.1974 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5135 0.2477 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1808 -0.6283 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2511 -1.5121 0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0338 -1.5571 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 0.1788 -2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 4.1441 3.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 -4.4843 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -5.7083 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 -2.2589 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 4.4507 -2.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 20 1 0 0 0 0 4 40 1 0 0 0 0 5 21 1 0 0 0 0 5 41 1 0 0 0 0 6 24 1 0 0 0 0 8 30 1 0 0 0 0 9 27 1 0 0 0 0 9 52 1 0 0 0 0 10 26 2 0 0 0 0 11 28 1 0 0 0 0 11 53 1 0 0 0 0 12 54 1 0 0 0 0 14 31 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 17 23 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 26 1 0 0 0 0 18 33 2 0 0 0 0 19 33 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 29 2 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 33 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 31 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 32 51 1 0 0 0 0 M END > DB03687 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YFAUKWZNPVBCFF-XHIBXCGHSA-N/SDF?record_type=3d > C[C@](O)(CO)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O > InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1 > YFAUKWZNPVBCFF-XHIBXCGHSA-N > C14H25N3O14P2 > 521.3075 > 521.081175547 > 14 > 58 > -1.9241016735081071 > 44.230883620014964 > 0 > 9 > 0 > 0 > {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphoryl}oxy)phosphinic acid > -3.915385796624603 > 0 > -2 > 2 > -2 > 2.973492605768817 > 1.8397917285445735 > 3.5577873357580536 > 272.34999999999997 > 115.04089999999997 > 11 > 0 > [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid > 0 $$$$