4725 -OEChem-10051719123D 33 34 0 0 0 0 0 0 0999 V2000 5.0298 1.5832 1.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 -1.4351 -1.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5678 -1.0452 -0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.8482 0.6788 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 1.2598 0.1065 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 -2.1762 0.3969 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 1.0567 -0.4774 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 3.1384 -0.4736 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 -0.1212 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 -0.4598 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 -0.4454 0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 1.2593 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -0.1519 -1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -0.0608 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 -0.8778 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -2.1244 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5861 -0.3302 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 1.7789 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9591 -0.8816 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -1.4531 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7131 0.2410 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0942 0.5509 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -1.1297 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 2.0414 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 1.2839 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5086 0.0670 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 0.5846 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -2.9731 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 1.8701 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 0.8934 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 -1.3922 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 3.6824 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 3.6386 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 30 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 17 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 7 18 2 0 0 0 0 8 18 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 M END > DB00299 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JNTOCHDNEULJHD-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2 > InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) > JNTOCHDNEULJHD-UHFFFAOYSA-N > C10H15N5O3 > 253.2578 > 253.117489371 > 7 > 33 > 6.679175641620046e-05 > 25.10608378673917 > 1 > 4 > 0 > 0 > 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one > -0.86 > -1.5479088533333338 > -1.53 > 0 > 0 > 2 > 0 > 15.095852930146666 > 11.998313908488052 > 2.876242539086313 > 125.75999999999999 > 64.59190000000001 > 5 > 1 > 7.45e+00 g/l > tetrahydrofolic acid > 0 $$$$