Mol:BMAXS4CAn003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 11 10 0 0 1 0 0 0 0 0999 V2000 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 6 0 0 0 2 1 1 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 4 11 2 0 0 0 0 4 10 1 0 0 0 0 3 4 1 0 0 0 0 1 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 S SKP 7 ID BMAXS4CAn003 NAME (2S) -2- (Aminomethylideneamino) butanedioic acid CAS_RN 2374-41-6 FORMULA C5H8N2O4 EXACTMASS 160.0484 AVERAGEMASS 160.1281 SMILES N=CN[C@@H](CC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03409 M END