Mol:BMAXTP--m007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 28  0  0  1  0  0  0  0  0999 V2000 
    8.0622   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1961   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1961   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.7500    0.0000 C   0  0  0  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 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -7.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    6.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 29 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 28  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 17  1  0  0  0  0 
 23 27  2  0  0  0  0 
 15 17  1  6  0  0  0 
 15 14  1  0  0  0  0 
 14 13  1  0  0  0  0 
 14 26  2  0  0  0  0 
 13 12  1  0  0  0  0 
 12 11  1  0  0  0  0 
 11  9  1  0  0  0  0 
 11 25  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  1  0  0  0  0 
  6  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4 10  1  0  0  0  0 
 20 24  1  1  0  0  0 
 15 16  1  0  0  0  0 
 16 18  1  0  0  0  0 
S  SKP  7 
ID	BMAXTP--m007 
NAME	N1-(g-L-glutamyl-L-cysteinyl-glycyl)-spermidine 
FORMULA	C17H34N6O5S 
EXACTMASS	434.2311 
AVERAGEMASS	434.5553 
SMILES	NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05730 
M  END