Mol:BMCCPUAP0039

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 47  0  0  1  0  0  0  0  0999 V2000 
    3.8841   -4.5370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.0751   -5.1248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.3841   -6.0759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.3841   -6.0759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.9719   -6.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1241   -4.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7963   -6.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6931   -5.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9664   -6.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5542   -7.5894    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7452   -8.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1420   -8.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3632   -7.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8841   -3.5370    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    4.7502   -3.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7502   -2.0370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8841   -1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0181   -2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0181   -3.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2750   -1.3679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6817   -0.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6762   -0.5589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1521   -3.5370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3453    0.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.3399    0.0797    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.7466    0.9933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.0035    1.6624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.1080    2.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8399   -0.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7248    1.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1374    1.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2990    3.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4035    4.2392    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4090    4.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3980    4.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5080    5.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6990    5.8216    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1112    5.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2868    6.6306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8900    6.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9945    7.4039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    7.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9890    7.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0991    8.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 14  2  0  0  0  0 
 17 22  1  0  0  0  0 
 22 21  1  0  0  0  0 
 21 20  2  0  0  0  0 
 20 18  1  0  0  0  0 
 19 23  1  0  0  0  0 
 24 22  1  0  0  0  0 
 24 31  1  6  0  0  0 
 27 31  1  6  0  0  0 
 27 26  1  0  0  0  0 
 26 25  1  0  0  0  0 
 25 24  1  0  0  0  0 
 26 30  1  1  0  0  0 
 25 29  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 33 36  1  0  0  0  0 
 33 35  2  0  0  0  0 
  1 14  1  0  0  0  0 
  1  8  1  6  0  0  0 
  4  8  1  6  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  7  1  1  0  0  0 
  2  6  1  1  0  0  0 
  4  5  1  0  0  0  0 
  5  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 36 37  1  0  0  0  0 
 37 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 37 38  2  0  0  0  0 
 37 39  1  0  0  0  0 
 41 43  2  0  0  0  0 
 41 44  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUAP0039 
NAME	Phosphoribosyl-ATP 
FORMULA	C15H26N5O20P4 
EXACTMASS	720.0121 
AVERAGEMASS	720.2836 
SMILES	O[C@@H]([C@@H](O)1)[C@@H](COP(O)(O)=O)O[C@H]1[n+1](c4)c(N)c(n3)c(n4)n(c3)[C@H](O2)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02739 
M  END