Mol:BMMCPYTYS610

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 38  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -3.7420    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660   -4.2420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -5.2420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -5.7420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981   -5.2420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.4641   -5.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -5.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -6.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -5.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4179    4.1059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4124    4.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0002    4.8104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5935    5.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5990    5.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0112    5.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8192    3.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1813    6.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1922    6.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8301    3.2969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.8301    3.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5211    2.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3301    1.7580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3301    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5701    2.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1391    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.7420    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4641   -0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.2420    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0981   -1.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0981   -3.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 22 23  1  0  0  0  0 
 22 28  1  6  0  0  0 
 25 28  1  6  0  0  0 
 25 24  1  0  0  0  0 
 24 23  1  0  0  0  0 
 25 26  1  0  0  0  0 
 22 13  1  0  0  0  0 
 26 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 33  1  0  0  0  0 
 30 31  1  0  0  0  0 
 30 32  2  0  0  0  0 
 33 34  1  0  0  0  0 
 34  7  1  0  0  0  0 
 34 36  1  0  0  0  0 
 34 35  2  0  0  0  0 
 24 27  1  1  0  0  0 
 15 16  1  0  0  0  0 
 15 14  1  0  0  0  0 
 14 13  1  0  0  0  0 
 13 18  1  0  0  0  0 
 18 17  2  0  0  0  0 
 17 16  1  0  0  0  0 
 14 19  2  0  0  0  0 
 16 20  2  0  0  0  0 
 17 21  1  0  0  0  0 
  5 11  1  6  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1  7  1  4  0  0  0 
  3  9  1  6  0  0  0 
  5  6  1  0  0  0  0 
  6 12  1  0  0  0  0 
  4 10  1  1  0  0  0 
  2  8  1  1  0  0  0 
S  SKP  7 
ID	BMMCPYTYS610 
NAME	dTDP-D-glucose 
FORMULA	C16H26N2O16P2 
EXACTMASS	564.0757 
AVERAGEMASS	564.329 
SMILES	OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)C[C@@H]2N(C=3)C(=O)NC(=O)C(C)3 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00842 
M  END