165151 -OEChem-10051720103D 35 36 0 1 0 0 0 0 0999 V2000 -3.7608 -1.1179 0.1578 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 1.4854 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 0.1366 0.6214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 1.8522 0.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 -2.7045 -0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8476 -1.8691 -0.9455 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -0.4155 -0.7306 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 -1.9860 1.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 0.6813 0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -0.4207 0.0812 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 1.8435 0.3193 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5194 2.1001 0.2933 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4195 2.4535 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 3.0825 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 1.0053 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -0.5359 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 0.7930 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 -1.6954 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 -1.6760 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 -3.0125 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3068 2.5908 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 2.6136 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 1.6880 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 3.1701 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 4.0465 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 3.2620 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 0.4280 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 1.4547 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 -0.5516 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7228 -0.3761 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 -3.4619 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1124 -2.9134 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -3.7016 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -2.7145 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6596 -0.9627 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 15 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > DB03150 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WVNRRNJFRREKAR-JGVFFNPUSA-N/SDF?record_type=3d > CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O > InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 > WVNRRNJFRREKAR-JGVFFNPUSA-N > C10H15N2O7P > 306.2091 > 306.061687356 > 6 > 35 > -1.903010879474493 > 26.529339974897216 > 1 > 3 > 0 > 0 > {[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid > -1.10 > -0.5339668556666662 > -1.67 > 0 > -2 > 2 > -2 > 6.3373962279024685 > 1.311782776434182 > -4.181485997832633 > 125.4 > 65.491 > 4 > 1 > 6.52e+00 g/l > biotin > 0 $$$$