439750 -OEChem-02282017463D 22 21 0 1 0 0 0 0 0999 V2000 3.1510 -0.8964 0.5559 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 2.0052 -1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 2.5116 0.9206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -2.1888 0.4922 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3991 -0.5760 -0.7066 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 0.1837 0.3984 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4669 -0.3825 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 -0.1890 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 1.6712 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 -1.6839 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 -0.4550 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6017 0.0927 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 -1.4505 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 0.1137 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3822 -0.6833 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 0.8753 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 -0.2884 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 -2.0999 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 0.6304 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.9212 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2598 -0.8133 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 2.9733 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 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 11 21 1 0 0 0 0 M END > DB04464 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PYUSHNKNPOHWEZ-YFKPBYRVSA-N/SDF?record_type=3d > [H]C(=O)N[C@@H](CCSC)C(O)=O > InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 > PYUSHNKNPOHWEZ-YFKPBYRVSA-N > C6H11NO3S > 177.221 > 177.045963913 > 3 > 22 > -0.9991540443086382 > 17.26514366027226 > 1 > 2 > 0 > 1 > (2S)-2-formamido-4-(methylsulfanyl)butanoic acid > -0.61 > -0.1571350413333333 > -1.26 > 0 > -1 > 0 > -1 > 15.896452545211904 > 3.92771597559532 > -1.4392999868293233 > 66.4 > 42.539300000000004 > 5 > 1 > 9.75e+00 g/l > L-saccharopine > 0 $$$$