Mol:BMSUM6He--06

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 28  0  0  1  0  0  0  0  0999 V2000 
    4.7321    1.9070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.8660    1.4070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.8660    0.4070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.7321   -0.0930    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.5981    0.4070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5981    1.4070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.7321    2.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660    3.4070    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3660    2.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    3.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3660    4.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -0.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.0930    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -2.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -1.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -2.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -3.2730    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -4.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7321   -3.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -0.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -1.0930    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -2.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4641   -1.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  1  0  0  0  0 
  1  2  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  3  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6 28  1  6  0  0  0 
  1  7  1  1  0  0  0 
  2 12  1  1  0  0  0 
  3 13  1  1  0  0  0 
  4 18  1  6  0  0  0 
  5 23  1  1  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 10  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 20  2  0  0  0  0 
 25 24  1  0  0  0  0 
 24 26  2  0  0  0  0 
 24 27  1  0  0  0  0 
 24 23  1  0  0  0  0 
 17 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 13  1  0  0  0  0 
 14 16  2  0  0  0  0 
S  SKP  7 
ID	BMSUM6He--06 
NAME	1D-myo-Inositol 1,3,4,5-tetrakisphosphate 
FORMULA	C6H16O18P4 
EXACTMASS	499.9287 
AVERAGEMASS	500.0754 
SMILES	O[C@@H]([C@H]1OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01272 
M  END