193653 -OEChem-10051720333D 20 19 0 1 0 0 0 0 0999 V2000 0.6021 0.1695 0.4778 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 1.7289 0.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4836 0.6926 -1.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 -0.2029 -0.9384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 0.9241 0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 -1.6188 0.2433 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 -0.5847 0.5307 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6775 -1.0894 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4617 0.6530 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -0.7549 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2644 0.0826 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1191 -0.3537 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -1.9803 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 -1.3606 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 -0.9816 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1635 -1.6809 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9847 -1.3172 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 -2.4665 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 2.5167 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 0.3457 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 9 2 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 17 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 8 13 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > DB04339 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GBFLZEXEOZUWRN-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CSCC(O)=O)C(O)=O > InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 > GBFLZEXEOZUWRN-VKHMYHEASA-N > C5H9NO4S > 179.194 > 179.025228471 > 5 > 20 > -1.0067543592724222 > 16.69360801431951 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid > -3.20 > -3.2974090328132886 > -0.92 > 0 > -1 > 0 > -1 > 4.05264718605501 > 1.8428031112426706 > 9.14390391869584 > 100.62 > 39.1068 > 5 > 1 > 2.16e+01 g/l > biotin > 0 $$$$