Mrv0541 02231216002D 9 8 0 0 1 0 999 V2000 1.9520 1.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > DB02153 > drugbank > N[C@@H](C[S@@](O)=O)C(O)=O > InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 > InChIKey=ADVPTQAUNPRNPO-REOHCLBHSA-N > 5 > 12.949980949636577 > 1 > 3 > 153.009578407 > 0 > C3H7NO4S > 0 > (2R)-2-amino-3-[(R)-sulfino]propanoic acid > -2.06 > -3.047901154691564 > -0.70 > 153.157 > 0 > 0 > -1 > 1.4278542638531437 > -0.7809327272291959 > 9.086747151780576 > 100.62 > 28.9921 > 3 > 1 > 3.02e+01 g/l > 3-sulfinoalanine > 0 > DB02153 > experimental > 3-Sulfinoalanine $$$$