6419722 -OEChem-10051719083D 14 13 0 1 0 0 0 0 0999 V2000 -2.0967 0.7610 0.8949 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -0.3652 0.5979 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0094 1.5292 -0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -1.8345 0.1294 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.5464 -0.5969 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4561 0.1679 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0638 0.2880 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 -0.8561 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3694 1.0377 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.4944 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 -2.4010 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -2.4054 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 -1.6674 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 1.6310 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 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 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > DB00151 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUJNEKJLAYXESH-REOHCLBHSA-N/SDF?record_type=3d > N[C@@H](CS)C(O)=O > InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 > XUJNEKJLAYXESH-REOHCLBHSA-N > C3H7NO2S > 121.158 > 121.019749163 > 3 > 14 > -0.00961289343552374 > 11.40532279226667 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-sulfanylpropanoic acid > -2.57 > -2.7921332976482773 > -0.72 > 0 > 0 > 0 > 0 > 10.171891903949282 > 2.345995198078135 > 9.053809511128133 > 63.31999999999999 > 28.2236 > 2 > 1 > 2.31e+01 g/l > biotin > 0 $$$$