8977 -OEChem-10051720323D 43 45 0 1 0 0 0 0 0999 V2000 4.7220 0.1665 -0.6744 P 0 0 2 0 0 0 0 0 0 0 0 0 3.5197 -2.3941 0.1326 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 1.0846 -0.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 3.8103 -0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 3.7388 1.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 0.9301 -0.7704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -1.0821 0.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6425 1.1512 0.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3262 -0.2161 -1.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 -2.9770 0.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 -3.2704 1.4464 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2482 -3.2024 -1.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0629 -2.1074 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 0.2423 0.0426 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 0.5715 -0.8586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -1.7224 1.0608 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3949 -1.1862 -0.3321 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 0.6864 -1.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 2.5760 0.5979 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5105 2.5034 1.1841 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8898 1.4310 -0.4163 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3316 2.0194 0.0017 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6284 1.3396 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9048 -0.0874 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -0.7850 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -1.2814 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 -1.9050 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0997 -0.0342 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 2.4988 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.7622 1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 1.7228 -1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 2.8387 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 0.4592 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 2.0273 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 3.7795 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 3.6070 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 -0.7915 1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 1.4617 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7873 1.5698 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9778 0.3537 -1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 1.9317 -0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 -4.0925 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8228 -4.0123 -1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 19 1 0 0 0 0 4 35 1 0 0 0 0 5 20 1 0 0 0 0 5 36 1 0 0 0 0 6 23 1 0 0 0 0 8 41 1 0 0 0 0 10 27 2 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 14 21 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 0 0 0 0 15 38 1 0 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 2 0 0 0 0 18 28 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 M END > DB04315 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QGWNDRXFNXRZMB-UUOKFMHZSA-N/SDF?record_type=3d > NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 > InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 > QGWNDRXFNXRZMB-UUOKFMHZSA-N > C10H15N5O11P2 > 443.2005 > 443.024329371 > 12 > 43 > -2.4309527954427064 > 35.28196075959898 > 0 > 7 > 0 > 0 > [({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid > -1.51 > -3.4221191592245095 > -2.00 > 1 > -2 > 3 > -3 > 3.211254840353913 > 1.7938321970220512 > 0.48328198360387176 > 248.27999999999994 > 86.36689999999997 > 6 > 0 > 4.44e+00 g/l > tetrahydrofolic acid > 0 $$$$