Mrv1533004241503352D 12 11 0 0 0 0 999 V2000 7.2849 3.3809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > NP0183074 > NP-MRD > NC(CSCCC(O)=O)C(O)=O > InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) > FBPINGSGHKXIQA-UHFFFAOYSA-N > C6H11NO4S > 193.22 > 193.040879012 > 5 > 23 > 18.860148109878843 > 1 > 3 > 0 > 0 > 2-amino-3-[(2-carboxyethyl)sulfanyl]propanoic acid > -2.97 > -2.844607334542719 > -1.11 > 0 > 0 > -1 > 4.329516966667265 > 1.9763474914173216 > 9.142639715762234 > 100.62000000000002 > 43.707800000000006 > 6 > 1 > 1.49e+01 g/l > 2-amino-3-[(2-carboxyethyl)sulfanyl]propanoic acid > 0 > NP0183074 > 2-amino-3-[(2-carboxyethyl)sulfanyl]propanoic acid $$$$