17753927 -OEChem-10051720043D 23 22 0 1 0 0 0 0 0999 V2000 3.5606 0.3139 0.0748 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -2.1730 1.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 -2.9709 -0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 2.1195 0.9577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.8140 -1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 0.3345 0.3618 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -0.5809 -0.5077 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9764 -0.1346 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 -0.2424 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -2.0184 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 1.4445 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 2.0938 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 -0.5683 -1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 0.8960 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 -0.7588 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 0.3341 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -1.2852 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 0.1625 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 2.6120 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 2.3394 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 2.4525 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 -3.1146 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8935 2.9137 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 9 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 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END > DB02899 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LWQBAQJPCYBWJQ-BYPYZUCNSA-N/SDF?record_type=3d > [H][C@@](CCSC)(NC(O)=O)C(O)=O > InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 > LWQBAQJPCYBWJQ-BYPYZUCNSA-N > C6H11NO4S > 193.221 > 193.040878535 > 4 > 23 > -1.9986764799310388 > 18.441299525111646 > 1 > 3 > 0 > 1 > (2S)-2-(carboxyamino)-4-(methylsulfanyl)butanoic acid > -0.03 > 0.36496074666666695 > -1.44 > 0 > -2 > 0 > -2 > 4.256333388816028 > 3.484575446962719 > 86.63000000000001 > 43.884299999999996 > 5 > 1 > 7.08e+00 g/l > tetrahydrofolic acid > 0 $$$$