Mol:BMCCPUXA0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  1  0  0  0  0  0999 V2000 
    3.7321    4.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1229    1.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5296    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5241    1.0255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    4.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    4.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1933    0.2823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.9854   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8514   -1.1958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5945   -0.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.5727   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9559   -2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1878    0.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8817   -1.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8598   -1.8936    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6519   -2.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0678   -0.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8380   -2.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1470   -3.0526    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1959   -3.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.0981   -2.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4560   -4.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 12 13  1  0  0  0  0 
 12 18  1  6  0  0  0 
 15 18  1  6  0  0  0 
 15 14  1  0  0  0  0 
 14 13  1  0  0  0  0 
 15 16  1  0  0  0  0 
 12  9  1  0  0  0  0 
 14 17  1  1  0  0  0 
  1  6  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 
  5  6  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  9  1  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7  5  1  0  0  0  0 
  6 11  2  0  0  0  0 
  2 10  2  0  0  0  0 
 16 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 24 27  2  0  0  0  0 
S  SKP  7 
ID	BMCCPUXA0010 
NAME	[(2R,3S,5R) -5- (2,6-Dioxo-3H-purin-9-yl) -3-hydroxyoxolan-2-yl] methyl phosphono hydrogen phosphate 
CAS_RN	130582-48-8 
FORMULA	C10H14N4O11P2 
EXACTMASS	428.0134 
AVERAGEMASS	428.186 
SMILES	O=C(N3)Nc(c2C(=O)3)n(cn2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01347 
M  END