Mol:BMAAS5PHe001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 1 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 3 1 0 0 0 0 5 9 2 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 1 7 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 13 1 0 0 0 0 S SKP 7 ID BMAAS5PHe001 NAME (2S) -2-Amino-5-oxo-5-phosphonooxypentanoic acid CAS_RN 13254-53-0 FORMULA C5H10NO7P EXACTMASS 227.0194 AVERAGEMASS 227.1092 SMILES N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03287 M END