461279 -OEChem-10051719583D 38 39 0 1 0 0 0 0 0999 V2000 -3.1524 1.0903 0.6656 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.7018 -1.6760 -0.1712 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 2.1344 0.6624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 1.9084 0.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 0.5513 1.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 -0.3944 0.1515 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0192 1.6955 -0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 -3.5971 0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 1.1210 1.9936 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3007 -2.0685 1.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 -2.8493 -0.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7236 -1.4528 -1.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 0.4166 0.1236 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 -1.5112 0.7719 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 1.8559 0.1021 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2465 2.7819 -0.3476 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3085 2.3517 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 2.8809 -1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 1.9529 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 -0.3871 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 -0.1174 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8081 -1.7206 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9249 -2.3781 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8595 -2.5884 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 2.3901 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 3.7750 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 2.3067 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 3.3255 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 0.9288 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 2.4218 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9281 0.0918 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 -1.9323 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -3.1410 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 -2.0046 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 -3.3087 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4869 2.5485 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 -2.7783 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 -3.7236 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 19 1 0 0 0 0 5 21 2 0 0 0 0 7 36 1 0 0 0 0 8 23 2 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 21 1 0 0 0 0 14 23 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 M END > DB02569 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LXCAIISEDMYORY-JGVFFNPUSA-N/SDF?record_type=3d > CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O > InChI=1S/C10H14N2O10P2/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-24(18,19)22-23(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 > LXCAIISEDMYORY-JGVFFNPUSA-N > C10H14N2O10P2 > 384.1731 > 384.012367702 > 8 > 38 > -2.431507961493853 > 30.35158878643766 > 1 > 4 > 0 > 0 > {[hydroxy({[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy})phosphoryl]oxy}phosphonic acid > -0.20 > -0.7771706053333326 > -1.93 > 0 > -2 > 2 > -3 > 3.2094760208893427 > 1.7710814633392837 > -4.223922008944393 > 171.93 > 77.06209999999999 > 6 > 1 > 4.53e+00 g/l > tetrahydrofolic acid > 0 $$$$