Mol:BMMCPYCTm010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 29  0  0  1  0  0  0  0  0999 V2000 
    3.5823    3.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    3.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.1701    3.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4170   -1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5510   -2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5510   -3.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4170   -3.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   10.2830   -2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6850   -1.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    9.4170   -0.5829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    9.9170    0.9559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.9170    0.9559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    7.3347    1.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7469    2.4694    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9379    1.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5559    3.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1591    3.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  4  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
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 13  5  1  0  0  0  0 
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 22 21  1  0  0  0  0 
 22 24  2  0  0  0  0 
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  6  7  1  0  0  0  0 
  6  5  1  0  0  0  0 
  5 10  1  0  0  0  0 
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  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  6 11  2  0  0  0  0 
  8 12  1  0  0  0  0 
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 26 27  2  0  0  0  0 
 26 28  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTm010 
NAME	CDP-ethanol-amine 
FORMULA	C11H20N4O11P2 
EXACTMASS	446.0603 
AVERAGEMASS	446.2443 
SMILES	NCCOP(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+C00570 
M  END