5255805 -OEChem-01171817263D 20 19 0 1 0 0 0 0 0999 V2000 2.9461 0.0122 0.5613 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 0.4656 -0.9022 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3827 1.6591 0.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 -1.8330 -0.5048 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1682 -0.7018 0.4746 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2825 -0.5734 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -0.1253 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 0.6008 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 0.4958 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 -1.0418 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 0.1417 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -1.5380 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 0.8473 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -0.8509 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -2.6878 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -1.6021 -1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1881 -2.0640 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7022 -0.2827 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8657 0.6342 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 1.4381 -1.3359 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 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > DB13972 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FFEARJCKVFRZRR-UHFFFAOYSA-N/SDF?record_type=3d > CSCCC(N)C(O)=O > InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) > FFEARJCKVFRZRR-UHFFFAOYSA-N > C5H11NO2S > 149.211 > 149.051049291 > 3 > 20 > 15.612040828997436 > 1 > 2 > 0 > 0 > 2-amino-4-(methylsulfanyl)butanoic acid > -1.85 > -2.189326616871282 > -0.80 > 0 > 0 > 0 > 2.5319210041042344 > 9.502323343916569 > 63.32000000000001 > 37.586 > 4 > 1 > 2.39e+01 g/l > methionine > 0 $$$$