Mol:BMMCPYXXe002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 31  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.2500    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 
    6.3301   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    7.1962   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0622    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0622    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    3.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4282    2.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4282    4.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    5.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7942    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7942    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
 15 19  1  0  0  0  0 
  5  9  1  0  0  0  0 
 12 16  2  0  0  0  0 
  2  1  2  0  0  0  0 
 13 17  1  4  0  0  0 
  2  7  1  0  0  0  0 
 14 18  1  4  0  0  0 
  1  6  1  0  0  0  0 
 19 20  1  0  0  0  0 
  6 10  1  0  0  0  0 
 20 23  1  0  0  0  0 
  6  5  2  0  0  0  0 
 23 24  1  0  0  0  0 
 10 11  1  0  0  0  0 
 24 27  1  0  0  0  0 
  5  4  1  0  0  0  0 
 27 28  1  0  0  0  0 
 11 12  1  0  0  0  0 
 28 30  1  0  0  0  0 
  4  3  1  0  0  0  0 
 28 29  1  0  0  0  0 
 12 13  1  0  0  0  0 
 24 25  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 14  1  0  0  0  0 
 20 22  2  0  0  0  0 
  4  8  2  0  0  0  0 
 24 26  2  0  0  0  0 
 14 15  1  0  0  0  0 
 28 31  2  0  0  0  0 
S  SKP  7 
ID	BMMCPYXXe002 
NAME	[5- [(2,5-Diamino-4-oxo-1H-pyrimidin-6-yl) amino] -2,3-dihydroxy-4-oxopentyl] [hydroxy(phosphonooxy) phosphoryl] hydrogen phosphate 
CAS_RN	1005284-71-8 
FORMULA	C9H18N5O14P3 
EXACTMASS	513.0063 
AVERAGEMASS	513.1858 
SMILES	NC(N1)=NC(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)=C(N)C(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06148 
M  END