Mol:BMAXS5CAe003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  1  0  0  0  0  0999 V2000 
    5.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321    1.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.7321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1340    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -2.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  6  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 12  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5 13  1  0  0  0  0 
  1 10  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  2  0  0  0  0 
  6  7  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
S  SKP  7 
ID	BMAXS5CAe003 
NAME	(2S) -2-Acetamido-5-oxo-5-phosphonooxypentanoic acid 
CAS_RN	 15383-57-0 
FORMULA	C7H12NO8P 
EXACTMASS	269.03 
AVERAGEMASS	269.1458 
SMILES	CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04133 
M  END