170018 -OEChem-10051720373D 22 21 0 1 0 0 0 0 0999 V2000 -0.5642 0.3060 1.0086 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 0.4122 -0.8518 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 1.5807 -0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 0.7614 1.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3007 0.9034 0.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -1.7415 -0.4788 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6734 -0.6623 -0.3320 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6628 -1.0170 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.6089 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -0.7746 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7463 -0.3773 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -0.5504 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 -1.9500 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 -1.1644 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -1.5452 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 -2.6121 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -0.7858 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 -1.7783 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -0.3631 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -1.0948 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 2.3945 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7411 0.8566 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 4 9 2 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > DB04530 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YPUBRSXDQSFQBA-BYPYZUCNSA-N/SDF?record_type=3d > N[C@@H](CSSCCO)C(O)=O > InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 > YPUBRSXDQSFQBA-BYPYZUCNSA-N > C5H11NO3S2 > 197.276 > 197.018034603 > 4 > 22 > -0.00901343361156621 > 19.350169723805273 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-[(2-hydroxyethyl)disulfanyl]propanoic acid > -2.54 > -3.2182559889105957 > -0.74 > 0 > 0 > 0 > 0 > 15.439304640387855 > 2.0359209644416136 > 9.040653435524714 > 83.55000000000001 > 47.38440000000001 > 6 > 1 > 3.60e+01 g/l > biotin > 0 $$$$