Mol:BMCCPUAP0014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  1  0  0  0  0  0999 V2000 
    3.7593    3.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6253    3.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6253    2.0476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7593    1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8933    2.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8933    3.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1501    1.3785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5569    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5514    0.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0272    3.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2205   -0.1737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.0126   -1.1518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.8786   -1.6518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.6218   -0.9827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.5999   -1.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0991   -1.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9831   -2.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2150   -0.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2690   -0.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9945   -2.5531    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9890   -2.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8900   -3.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  6 10  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 18  1  6  0  0  0 
 11 18  1  6  0  0  0 
 12 16  1  1  0  0  0 
 13 17  1  1  0  0  0 
 14 15  1  0  0  0  0 
 15 19  1  0  0  0  0 
 11  9  1  0  0  0  0 
 16 20  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 21  2  0  0  0  0 
S  SKP  7 
ID	BMCCPUAP0014 
NAME	Adenosine 2'-phosphate 
FORMULA	C10H14N5O7P 
EXACTMASS	347.063 
AVERAGEMASS	347.2214 
SMILES	OC[C@@H](O1)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00946 
M  END