71158 -OEChem-10051719203D 22 21 0 0 0 0 0 0 0999 V2000 2.5701 0.2285 0.1841 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2889 1.0480 -1.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 -1.0132 0.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 1.1495 1.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1508 -0.2624 1.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 -0.2494 -0.7776 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -1.0652 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.1264 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 -1.4086 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 0.2290 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5777 1.4701 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 -1.9955 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 -0.6076 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 -0.5899 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 0.8300 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -1.8842 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -2.1166 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 0.2456 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 0.5016 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4592 1.6740 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8903 2.3181 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 1.3359 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 M END > DB00659 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AFCGFAGUEYAMAO-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NCCCS(O)(=O)=O > InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10) > AFCGFAGUEYAMAO-UHFFFAOYSA-N > C5H11NO4S > 181.21 > 181.040878535 > 4 > 22 > -0.9999999942075737 > 17.16578280720971 > 1 > 2 > 0 > 0 > 3-acetamidopropane-1-sulfonic acid > -1.79 > -2.7504018429068506 > -0.98 > 0 > -1 > 0 > -1 > 15.12379824950113 > -0.8769424094488159 > -1.5260984393950587 > 83.47 > 38.9143 > 4 > 1 > 1.88e+01 g/l > tetrahydrofolic acid > 0 $$$$