5287571 -OEChem-10051719513D 33 34 0 1 0 0 0 0 0999 V2000 -3.2176 1.4004 0.6173 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 -0.6935 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5252 1.6086 1.3721 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2445 1.7942 -0.8549 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9556 1.7880 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 -1.7489 -0.2416 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 -1.5958 1.1725 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 0.4767 -1.2131 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 1.8098 -0.2624 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 0.9561 1.4106 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 2.6805 -1.9012 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 -2.3225 -0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 -2.0911 -0.2253 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3405 -0.4867 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 -2.7233 -0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4043 -0.4121 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -2.3758 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 -0.4489 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.7919 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 1.5922 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 -3.3938 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -1.8731 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 -2.5167 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -3.7359 -1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 -2.8297 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 -2.1360 -1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -3.3947 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -0.8512 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9804 -0.7793 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 1.8408 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4857 0.1983 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 2.5820 -2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 3.5439 -1.8471 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 2 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 14 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 2 3 -1 4 -1 M END > DB02222 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LWEKFDHXJHJYGB-YFKPBYRVSA-L/SDF?record_type=3d > C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O > InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1 > LWEKFDHXJHJYGB-YFKPBYRVSA-L > C9H13N6O4P > 300.2111 > 300.073589446 > 9 > 33 > -0.9312441222722384 > 26.829118880157385 > 1 > 2 > -2 > 0 > ({[(2S)-1-(2,6-diamino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate > -0.49 > -4.257720590058703 > -2.09 > 0 > -1 > 2 > -1 > 7.9262665292837 > 1.4103702956944166 > 5.608523126076718 > 168.06 > 69.938 > 5 > 1 > 2.72e+00 g/l > tetrahydrofolic acid > 0 $$$$