Mol:BMMCPYTY0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 30  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 
    6.9117   -1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.6437   -4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.3758   -3.6352    0.0000 C   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 
    7.5559    1.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7315    1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8347   -0.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
 22 23  1  0  0  0  0 
 18 19  1  0  0  0  0 
 22 24  2  0  0  0  0 
 18 21  1  0  0  0  0 
 22 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 17 18  1  0  0  0  0 
 21 22  1  0  0  0  0 
 26 29  2  0  0  0  0 
 26 27  1  0  0  0  0 
 18 20  2  0  0  0  0 
 26 28  1  0  0  0  0 
 13 16  1  6  0  0  0 
 10 16  1  6  0  0  0 
 12 15  1  1  0  0  0 
 13 14  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  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 
 10  1  1  0  0  0  0 
  2  7  2  0  0  0  0 
  4  8  2  0  0  0  0 
 12 11  1  0  0  0  0 
 12 13  1  0  0  0  0 
 10 11  1  0  0  0  0 
  5  9  1  0  0  0  0 
 14 17  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYTY0004 
NAME	dTTP 
FORMULA	C10H17N2O14P3 
EXACTMASS	481.9892 
AVERAGEMASS	482.1683 
SMILES	CC(=C1)C(=O)NC(=O)N1[C@@H](C2)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00459 
M  END