Mol:BMMCPYCTq011

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Copyright: ARM project http://www.metabolome.jp/
 30 31  0  0  1  0  0  0  0  0999 V2000
    4.5768    3.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.7739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9945    4.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    3.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    2.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4115   -1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455   -2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455   -3.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4115   -3.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2776   -3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2776   -2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6795   -1.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4115   -4.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4115   -0.5829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2206    0.0049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9115    0.9559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9115    0.9559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4993    1.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6025    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292    1.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7414    2.4694    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9324    1.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5505    3.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537    3.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    3.1739    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.2637    2.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546    4.1685    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
 16 20  1  1  0  0  0
 17 21  1  1  0  0  0
 15  7  1  0  0  0  0
 27 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 26  2  0  0  0  0
 24 25  1  0  0  0  0
 23 19  1  0  0  0  0
  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
 11 10  1  0  0  0  0
 10  9  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 27 28  1  0  0  0  0
 28  4  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  6  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
S  SKP  7
ID	BMMCPYCTq011
NAME	CDP-glycerol
FORMULA	C12H21N3O13P2
EXACTMASS	477.0549
AVERAGEMASS	477.255
SMILES	OC[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+C00513
M  END

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