Mol:BMMCPYCTm010

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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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    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
   10.2830   -3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.4170   -4.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.3292    1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5048    1.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6080    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.1646    3.1739    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2691    2.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0601    4.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
 16 20  1  6  0  0  0
 16 15  1  0  0  0  0
 13 20  1  6  0  0  0
 15 14  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  1  0  0  0
 15 19  1  1  0  0  0
 13  5  1  0  0  0  0
 25 22  1  0  0  0  0
 22 21  1  0  0  0  0
 22 24  2  0  0  0  0
 22 23  1  0  0  0  0
 21 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  5 10  1  0  0  0  0
 10  9  2  0  0  0  0
  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
 25 26  1  0  0  0  0
 26  4  1  0  0  0  0
 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

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