93072 -OEChem-02282017193D 20 19 0 1 0 0 0 0 0999 V2000 -1.9106 -1.5293 0.8858 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 0.2915 0.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -2.8462 -0.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 1.1049 -0.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 1.3338 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5177 0.6057 0.4549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 2.4953 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 -0.5561 -0.2461 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4162 -0.8740 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 -1.7638 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 0.2784 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 1.4597 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -0.3387 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 -1.7452 -0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -1.1177 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 0.7611 1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4728 -2.3212 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 2.5838 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 3.2014 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 1.0351 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 M END > DB04252 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HLKXYZVTANABHZ-REOHCLBHSA-N/SDF?record_type=3d > NC(=O)N[C@@H](CC(O)=O)C(O)=O > InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 > HLKXYZVTANABHZ-REOHCLBHSA-N > C5H8N2O5 > 176.1274 > 176.043321376 > 5 > 20 > -1.982508682543561 > 14.723969618976081 > 1 > 4 > 0 > 0 > (2S)-2-(carbamoylamino)butanedioic acid > -1.12 > -1.7352221553333331 > -0.92 > 0 > -2 > 0 > -2 > 5.2526016307709105 > 3.333225520739885 > -2.589637248709309 > 129.72000000000003 > 34.653200000000005 > 4 > 1 > 2.13e+01 g/l > L-saccharopine > 0 $$$$