8629 -OEChem-10051719433D 60 62 0 1 0 0 0 0 0999 V2000 -1.7751 2.3103 -1.8367 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.7677 3.4182 0.6960 P 0 0 2 0 0 0 0 0 0 0 0 0 3.1165 0.5022 1.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 -0.1488 0.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5052 2.6812 0.1227 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 0.8665 -1.8299 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 1.1104 -1.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 3.2222 1.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 -3.0936 -1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1663 -1.9687 1.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 -1.1710 -2.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 2.7422 -0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -1.5159 3.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -2.2227 -0.9527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 1.5868 -3.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 4.9990 0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 3.4434 -2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 2.8931 1.5322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -5.0122 -0.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9539 -1.3646 0.2463 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -3.6101 -0.5325 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 2.2326 0.0264 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0921 0.9012 -0.6919 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6811 1.8622 1.4258 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5407 -0.0631 0.3927 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6887 -1.7633 -0.8694 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7985 -1.7613 0.6566 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2928 -1.3250 -1.3080 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2950 -0.4374 1.2474 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8690 -0.0234 -0.6257 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1670 1.9064 1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 -0.4717 2.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 -2.3798 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -1.6255 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 -2.8032 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 -3.9168 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 3.0172 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 0.6917 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 2.4964 2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -0.1542 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -1.1331 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -2.6098 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -2.1193 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9602 0.3866 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 0.1240 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 1.6260 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 1.2060 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8456 0.4680 3.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -0.6460 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 3.5196 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 1.5819 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2004 -0.8270 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 -3.6747 -0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6772 -1.2093 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -0.8817 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4701 -4.3543 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 -2.9695 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3593 -1.5159 4.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4564 2.1426 -3.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 5.3965 -0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 2 8 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 24 1 0 0 0 0 3 25 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 22 1 0 0 0 0 5 50 1 0 0 0 0 6 23 1 0 0 0 0 6 51 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 26 1 0 0 0 0 9 53 1 0 0 0 0 10 27 1 0 0 0 0 10 54 1 0 0 0 0 11 28 1 0 0 0 0 11 55 1 0 0 0 0 13 32 1 0 0 0 0 13 58 1 0 0 0 0 14 33 2 0 0 0 0 15 59 1 0 0 0 0 16 60 1 0 0 0 0 19 36 2 0 0 0 0 20 25 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 33 1 0 0 0 0 21 36 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 31 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 32 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 34 35 2 0 0 0 0 34 52 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 M END > DB01861 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HSCJRCZFDFQWRP-JZMIEXBBSA-N/SDF?record_type=3d > OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 > HSCJRCZFDFQWRP-JZMIEXBBSA-N > C15H24N2O17P2 > 566.3018 > 566.055020376 > 14 > 60 > -2.00190798379645 > 45.39041999146114 > 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}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid > -1.43 > -4.996608078666667 > -1.58 > 1 > -2 > 3 > -2 > 3.176325128018932 > 1.7326003066859688 > -3.64840938010819 > 291.53999999999996 > 106.45579999999997 > 9 > 0 > 1.50e+01 g/l > tetrahydrofolic acid > 0 $$$$