Mol:BMCCPUAPp040

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  1  0  0  0  0  0999 V2000 
    3.7321    3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1229    0.9279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5296    0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5241    0.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1933   -0.6243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.9854   -1.6025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.8514   -2.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5945   -1.4333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.5727   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0718   -2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9559   -3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1878   -0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2418   -0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2200   -1.1060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0120   -2.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4279   -0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1981   -1.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8672   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8454   -0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5145   -0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5582    0.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  8  7  2  0  0  0  0 
 12 13  1  0  0  0  0 
 12 16  1  1  0  0  0 
 14 18  1  6  0  0  0 
  5  6  1  0  0  0  0 
  3  2  2  0  0  0  0 
 13 17  1  1  0  0  0 
 14 15  1  0  0  0  0 
  6  1  2  0  0  0  0 
  6 10  1  0  0  0  0 
 15 19  1  0  0  0  0 
  5  7  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2  1  1  0  0  0  0 
 19 20  1  0  0  0  0 
 11  9  1  0  0  0  0 
 20 23  1  0  0  0  0 
  9  4  1  0  0  0  0 
 20 21  1  0  0  0  0 
  9  8  1  0  0  0  0 
 20 22  2  0  0  0  0 
 12 11  1  0  0  0  0 
 11 18  1  6  0  0  0 
 26 25  1  0  0  0  0 
  4  5  2  0  0  0  0 
 25 24  1  0  0  0  0 
 24 23  1  0  0  0  0 
  4  3  1  0  0  0  0 
 24 27  2  0  0  0  0 
S  SKP  7 
ID	BMCCPUAPp040 
NAME	[ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] propanoic acid 
CAS_RN	106360-28-5 
FORMULA	C13H18N5O8P 
EXACTMASS	403.0892 
AVERAGEMASS	403.2846 
SMILES	CCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05983 
M  END