439176 -OEChem-10051719523D 35 37 0 1 0 0 0 0 0999 V2000 4.0117 -2.0750 -0.7450 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 0.0313 -1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 2.5703 1.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 2.8565 -0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 -0.0987 -0.1608 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -1.9584 0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.4441 -0.4878 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4217 0.3354 -0.1666 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5999 -1.9830 0.3999 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 1.4047 0.8601 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7231 1.6846 0.4314 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7183 0.7806 -0.4010 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0452 0.4729 -0.4375 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6472 -0.6807 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 0.2412 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 -1.4307 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 -0.9246 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8229 -0.8492 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -3.2142 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 1.3928 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 0.6973 1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 1.8424 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 1.5354 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 0.7523 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 -1.0326 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5731 -0.3598 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6575 3.2111 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 2.9851 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 -1.9637 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -3.4414 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 -2.7830 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9747 -4.1467 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 2.3247 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6075 -1.9029 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1554 -2.8682 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 10 1 0 0 0 0 3 27 1 0 0 0 0 4 11 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 20 1 0 0 0 0 8 18 1 0 0 0 0 8 20 2 0 0 0 0 9 18 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > DB02282 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WUUGFSXJNOTRMR-IOSLPCCCSA-N/SDF?record_type=3d > CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N > InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 > WUUGFSXJNOTRMR-IOSLPCCCSA-N > C11H15N5O3S > 297.334 > 297.089560061 > 7 > 35 > 0.00822886279086439 > 29.256574959298177 > 1 > 3 > 0 > 0 > (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol > -0.14 > -0.6084927256666669 > -1.66 > 0 > 0 > 3 > 0 > 14.012986053230014 > 12.471831338817463 > 3.9387744899685577 > 119.31 > 74.02919999999999 > 3 > 1 > 6.50e+00 g/l > tetrahydrofolic acid > 0 $$$$