Mol:BMAXS3AKf007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  1  0  0  0  0  0999 V2000 
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3660   -2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3660   -3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    4.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10  9  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 18  1  0  0  0  0 
  9 17  1  4  0  0  0 
  9  8  1  0  0  0  0 
  8 16  2  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  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  4 15  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 14  1  0  0  0  0 
S  SKP  7 
ID	BMAXS3AKf007 
NAME	Pantetheine 
FORMULA	C11H22N2O4S 
EXACTMASS	278.13 
AVERAGEMASS	278.3694 
SMILES	SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00831 
M  END