Mrv0541 02241203482D 16 15 0 0 1 0 999 V2000 12.5432 -10.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7183 -10.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9558 -12.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7807 -12.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9558 -11.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5432 -13.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1933 -11.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3057 -9.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9558 -14.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7183 -13.3411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7807 -11.1978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0182 -11.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7183 -9.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4808 -9.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5432 -14.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7807 -14.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 1 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 M END > M2MDB000824 > M2MDB > N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O > InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1 > MKYPKZSGLSOGLL-LURJTMIESA-N > C9H16N2O5 > 232.2337 > 232.105921632 > 6 > 23.130464491248325 > 1 > 4 > 0 > 0 > (2S)-2-amino-4-[(3-carboxypropyl)carbamoyl]butanoic acid > -3.37 > -3.8525560376446113 > -1.28 > 0 > 0 > -1 > 4.370224218501651 > 2.2953777937671016 > 9.312092334792249 > 129.72 > 53.5456 > 8 > 1 > 1.21e+01 g/l > glugaba > 0 > ECMDB12161 > 4-(Glutamylamino) butanoate $$$$