10130120 -OEChem-10051719473D 19 18 0 1 0 0 0 0 0999 V2000 1.0697 0.5970 0.5487 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 1.5485 0.5862 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 0.6248 -1.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -1.0960 -0.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -1.7964 0.2287 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -0.6124 0.5521 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0313 -0.8570 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 0.5588 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6221 0.0146 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 1.0182 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 -0.4197 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -1.7088 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 -1.0910 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1888 -1.6668 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 -2.6043 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8779 1.2602 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5027 1.9244 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 0.5920 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 2.2977 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END > DB02039 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XCIRMLHOFVDUDP-BYPYZUCNSA-N/SDF?record_type=3d > [H][C@](N)(CSC(C)=O)C(O)=O > InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 > XCIRMLHOFVDUDP-BYPYZUCNSA-N > C5H9NO3S > 163.195 > 163.030313849 > 4 > 19 > -0.04921371901007787 > 15.464824332786046 > 1 > 2 > 0 > 0 > (2R)-3-(acetylsulfanyl)-2-aminopropanoic acid > -2.34 > -2.9498909988641153 > -0.85 > 0 > 0 > 0 > 0 > 1.8870236973926384 > 8.285940250280538 > 80.39 > 37.6914 > 4 > 1 > 2.32e+01 g/l > tetrahydrofolic acid > 0 $$$$