Mol:BMMCPYCTq006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 34  0  0  1  0  0  0  0  0999 V2000 
    2.9945    4.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5823    4.1784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.1701    3.3694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.1646    3.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3913    4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    4.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7733    3.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7634    2.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7524    2.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9993   -1.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1333   -2.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1333   -3.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9993   -3.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8653   -3.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8653   -2.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.2673   -1.9874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9993   -4.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9993   -0.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.8083   -0.3996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.4993    0.5514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.4993    0.5514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.9115    1.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8083   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.0871    1.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1903   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9170    1.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3292    2.0649    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5202    1.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1382    2.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7414    2.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7469    2.7694    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8514    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6424    3.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  5  1  1  0  0  0 
  2  7  1  6  0  0  0 
  3  4  1  0  0  0  0 
  4  9  1  0  0  0  0 
  3  8  1  1  0  0  0 
  9 31  1  0  0  0  0 
 31 30  1  0  0  0  0 
 30 27  1  0  0  0  0 
 27 26  1  0  0  0  0 
 26 22  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 27 28  2  0  0  0  0 
 27 29  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 20  1  0  0  0  0 
 20 19  1  0  0  0  0 
 19 18  1  0  0  0  0 
 18 25  1  6  0  0  0 
 21 25  1  6  0  0  0 
 20 24  1  1  0  0  0 
 19 23  1  1  0  0  0 
 18 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
 11 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTq006 
NAME	4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol 
FORMULA	C14H25N3O14P2 
EXACTMASS	521.0811 
AVERAGEMASS	521.3076 
SMILES	OC[C@@](C)(O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C11435 
M  END