7058174 -OEChem-10051719513D 17 16 0 1 0 0 0 0 0999 V2000 -1.7706 0.1457 0.7750 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 0.1189 0.6665 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0730 1.6821 -0.3016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -1.9112 0.1610 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5586 -0.6210 -0.5975 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9253 -0.2915 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 0.5048 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 0.3722 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 -0.8613 -1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0295 0.5561 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -1.1437 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 -2.2292 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 -2.6621 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 -1.8112 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 -0.5573 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 1.1680 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 0.6543 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > DB02216 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IDIDJDIHTAOVLG-VKHMYHEASA-N/SDF?record_type=3d > CSC[C@H](N)C(O)=O > InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 > IDIDJDIHTAOVLG-VKHMYHEASA-N > C4H9NO2S > 135.185 > 135.035399227 > 3 > 17 > -0.0070603165079560215 > 13.55671322858222 > 1 > 2 > 0 > 0 > (2R)-2-amino-3-(methylsulfanyl)propanoic acid > -2.21 > -2.404744262255893 > -0.31 > 0 > 0 > 0 > 0 > 2.4449295067998698 > 9.146384026498897 > 63.32 > 32.8746 > 3 > 1 > 6.58e+01 g/l > tetrahydrofolic acid > 0 $$$$