7068808 -OEChem-10051720333D 18 17 0 1 0 0 0 0 0999 V2000 -0.6283 0.0836 -0.7176 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 -0.0722 0.0061 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -0.4156 -1.3195 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 -0.3167 -0.7475 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0807 -1.7117 0.3039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 -1.2241 0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 1.2408 0.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9911 1.8967 -0.2353 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8136 0.6378 0.5578 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3112 0.4661 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 -0.5847 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2893 0.8554 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 -0.3502 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1098 1.3730 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 2.1116 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 2.7071 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5638 1.8158 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 0.2477 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 3 18 1 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 8 9 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > DB04370 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOKPBJYHPHHWAN-REOHCLBHSA-N/SDF?record_type=3d > N[C@@H](CSS(O)(=O)=O)C(O)=O > InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 > NOKPBJYHPHHWAN-REOHCLBHSA-N > C3H7NO5S2 > 201.221 > 200.976563719 > 6 > 18 > -1.0101392930691167 > 16.764815744272703 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-(sulfosulfanyl)propanoic acid > -2.33 > -2.348351581435501 > -0.57 > 0 > -1 > 0 > -1 > 1.1699046078189743 > -1.8719924638681862 > 8.989135848858341 > 117.69 > 38.642100000000006 > 4 > 1 > 5.38e+01 g/l > biotin > 0 $$$$