Mol:BMMCPYCT0022

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BMMCPYCT0022.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 29  0  0  1  0  0  0  0  0999 V2000 
    8.6437   -1.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7777   -2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7777   -3.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.6437   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5097   -3.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5097   -2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    8.6437   -4.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.6437   -0.6352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.4527   -0.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1437    0.9037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.1437    0.9037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    9.7315    1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    6.5614    1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9736    2.4172    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1646    1.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7826    3.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3858    3.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3913    3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4959    2.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2868    4.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3968    3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090    3.8262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6180    4.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2212    4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 25 27  1  0  0  0  0 
 21 22  1  0  0  0  0 
 17 18  1  0  0  0  0 
 21 23  2  0  0  0  0 
 17 20  1  0  0  0  0 
 21 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 16 17  1  0  0  0  0 
 20 21  1  0  0  0  0 
 25 28  2  0  0  0  0 
 25 26  1  0  0  0  0 
 17 19  2  0  0  0  0 
 12 15  1  6  0  0  0 
  9 15  1  6  0  0  0 
 11 14  1  1  0  0  0 
 12 13  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  9  1  1  0  0  0  0 
  2  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
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 11 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
 13 16  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCT0022 
NAME	dCTP 
FORMULA	C9H16N3O13P3 
EXACTMASS	466.9895 
AVERAGEMASS	467.157 
SMILES	NC(C=2)=NC(=O)N(C2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00458 
M  END
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