72886 -OEChem-02252017543D 17 16 0 1 0 0 0 0 0999 V2000 -1.5914 -0.1557 0.0521 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 0.5765 -0.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 -0.2036 1.4841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -1.3481 -0.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -1.3458 0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 -0.8024 -1.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 1.8642 0.0225 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.0911 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 0.8229 0.3972 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5369 -0.4991 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 1.1325 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 2.0450 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 0.8169 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 1.8662 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 1.6702 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 1.3636 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -2.2022 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 M END > DB03661 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XVOYSCVBGLVSOL-REOHCLBHSA-N/SDF?record_type=3d > N[C@@H](CS(O)(=O)=O)C(O)=O > InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 > XVOYSCVBGLVSOL-REOHCLBHSA-N > C3H7NO5S > 169.156 > 169.004493029 > 6 > 17 > -1.0158379193510654 > 13.484439770119895 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-sulfopropanoic acid > -2.39 > -2.957299196822919 > -0.36 > 0 > -1 > 0 > -1 > 1.2422625178335889 > -1.7161956659222706 > 8.793320902393107 > 117.69 > 30.435000000000002 > 3 > 1 > 7.36e+01 g/l > mesoxalic acid > 0 $$$$