444894 -OEChem-10051720513D 35 37 0 1 0 0 0 0 0999 V2000 -3.8808 -1.4671 0.3352 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.1075 -0.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6178 0.0513 -0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4812 -1.6474 0.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6623 -1.3728 1.9347 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 -2.5088 -0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 0.6674 -0.2244 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.9597 1.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3629 -0.8024 -1.5709 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.2758 -0.4673 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0535 -0.3681 1.6735 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3177 0.5838 0.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3009 -0.2232 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 0.7948 -1.0787 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1777 1.9550 -0.6372 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6486 3.0911 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1029 -0.0594 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 1.2612 0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 0.1350 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -0.5082 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 -1.3738 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 0.6159 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 0.7039 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9316 -1.0951 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 -0.5851 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 1.9994 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 3.1221 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 4.0542 -0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7111 2.9927 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 1.8962 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8799 -1.9961 -2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8784 -2.5256 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 -2.1981 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8095 0.2035 2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9436 -0.8461 1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 17 2 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 21 2 0 0 0 0 11 20 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 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 24 1 0 0 0 0 13 25 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 21 31 1 0 0 0 0 M END > DB06843 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NFGZMOICZSFFLB-DSYKOEDSSA-N/SDF?record_type=3d > [H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N > InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 > NFGZMOICZSFFLB-DSYKOEDSSA-N > C10H14N5O5P > 315.2224 > 315.073255095 > 8 > 35 > -1.9202035987831994 > 28.019968181565332 > 1 > 3 > 0 > 0 > {[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-methyloxolan-3-yl]oxy}phosphonic acid > -1.78 > -2.848577349703472 > -2.13 > 0 > -2 > 3 > -2 > 6.214847643757661 > 1.1642691525033957 > 3.935450752841306 > 145.61 > 71.0141 > 3 > 1 > 2.35e+00 g/l > tetrahydrofolic acid > 0 $$$$