Mol:BMAXS5ANk005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 17 16 0 0 1 0 0 0 0 0999 V2000 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 7 1 0 0 0 0 2 6 1 1 0 0 0 7 8 1 0 0 0 0 1 14 2 0 0 0 0 8 9 1 0 0 0 0 2 3 1 0 0 0 0 8 10 2 0 0 0 0 6 11 1 0 0 0 0 2 1 1 0 0 0 0 11 12 1 0 0 0 0 3 4 1 0 0 0 0 12 13 1 0 0 0 0 1 15 1 0 0 0 0 13 16 1 0 0 0 0 4 5 1 0 0 0 0 13 17 2 0 0 0 0 S SKP 7 ID BMAXS5ANk005 NAME 2- (2-Carboxyethylamino) -5- (diaminomethylideneamino) pentanoic acid CAS_RN 151636-36-1 FORMULA C9H18N4O4 EXACTMASS 246.1328 AVERAGEMASS 246.2637 SMILES NC(=N)NCCC[C@H](NCCC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06655 M END