Mol:BMMCPYCTb009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 32  0  0  1  0  0  0  0  0999 V2000 
    4.3913    3.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3968    3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090    4.1784    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2212    4.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6180    4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2260   -1.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3600   -2.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3600   -3.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2260   -3.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0921   -3.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0921   -2.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4940   -1.9874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2260   -4.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2260   -0.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.0350   -0.3996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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   12.0350   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3138    1.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4170   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1437    1.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5559    2.0649    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7469    1.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    6.0782    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8691    3.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9791    2.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 18 22  1  6  0  0  0 
 18 17  1  0  0  0  0 
 15 22  1  6  0  0  0 
 17 16  1  0  0  0  0 
 15 16  1  0  0  0  0 
 18 19  1  0  0  0  0 
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 15  7  1  0  0  0  0 
 27 24  1  0  0  0  0 
 24 23  1  0  0  0  0 
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  8  9  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7 12  1  0  0  0  0 
 12 11  2  0  0  0  0 
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  8 13  2  0  0  0  0 
 10 14  1  0  0  0  0 
 27 28  1  0  0  0  0 
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 28 29  2  0  0  0  0 
 28 30  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1 31  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTb009 
NAME	CDP-choline 
FORMULA	C14H27N4O11P2 
EXACTMASS	489.1151 
AVERAGEMASS	489.332 
SMILES	NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OCC[N+1](C)(C)C)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00307 
M  END