Mol:BMAAS6ANe002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 7.1962 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.4330 0.0000 C 0 0 0 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 3.7321 0.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 6 0 0 0 2 1 1 0 0 0 0 1 9 2 0 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 1 10 1 0 0 0 0 5 11 1 4 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 14 2 0 0 0 0 S SKP 7 ID BMAAS6ANe002 NAME (2S) -2,6-Diamino-5-phosphonooxyhexanoic acid CAS_RN 32163-95-4 FORMULA C6H15N2O6P EXACTMASS 242.0667 AVERAGEMASS 242.1669 SMILES NCC(CC[C@H](N)C(O)=O)OP(O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03366 M END