65103 -OEChem-10051719503D 47 49 0 1 0 0 0 0 0999 V2000 2.4412 -1.9157 1.1300 P 0 0 1 0 0 0 0 0 0 0 0 0 3.6144 0.5967 0.1414 P 0 0 2 0 0 0 0 0 0 0 0 0 2.2090 1.5140 -2.2849 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -2.0023 0.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -4.4215 -0.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 -2.3921 1.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 -0.4957 0.3596 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 -1.5007 2.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -2.9141 0.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 4.3212 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 1.6763 -0.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6834 -0.1635 -0.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1879 1.1789 1.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 0.6580 -1.9287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 2.9927 -2.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 0.9305 -3.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9779 -0.1150 -0.1904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 0.5451 1.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7289 1.9477 -0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 2.9169 1.5986 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 1.3864 2.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -3.4769 -1.1682 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8855 -1.5704 -0.1989 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1623 -3.1250 0.1142 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5581 -2.1691 -1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 -2.7110 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 0.7701 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 0.6522 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 2.0188 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 3.1908 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 1.6767 1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 -3.9031 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.9417 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 -3.9377 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 -2.2842 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -1.5395 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -1.8249 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 -3.5235 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4246 -4.1258 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6548 0.2094 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 -0.3815 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -2.2064 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 0.4302 2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 2.1227 3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 -0.8177 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 0.3429 -2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2066 3.1687 -3.4536 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 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 22 1 0 0 0 0 5 39 1 0 0 0 0 6 26 1 0 0 0 0 8 42 1 0 0 0 0 10 30 2 0 0 0 0 12 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 18 41 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 21 31 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 29 2 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 M END > DB02181 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HAAZLUGHYHWQIW-KVQBGUIXSA-N/SDF?record_type=3d > NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1 > InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 > HAAZLUGHYHWQIW-KVQBGUIXSA-N > C10H16N5O13P3 > 507.181 > 506.995745159 > 13 > 47 > -3.4324940332188087 > 39.091797101174514 > 0 > 7 > 0 > 0 > ({[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid > -0.61 > -3.193943727796871 > -1.96 > 1 > -3 > 3 > -4 > 2.5350008970319498 > 1.0449307698000918 > 0.37014381294121873 > 274.5799999999999 > 95.72909999999997 > 8 > 0 > 5.59e+00 g/l > tetrahydrofolic acid > 0 $$$$