Mol:BMMCPYURS603

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 40  0  0  1  0  0  0  0  0999 V2000 
    4.5768    2.8603    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.9836    3.7739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.3958    4.5829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.4013    4.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9945    3.5648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0000    3.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1646    2.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9781    3.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3848    4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7970    5.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3793    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8025    5.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8135    5.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5823    2.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4115   -2.6010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5455   -3.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5455   -4.1010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4115   -4.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.2776   -4.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.2776   -3.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.6795   -2.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4115   -5.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4115   -1.6010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.2206   -1.0132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.9115   -0.0621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.9115   -0.0621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.3238    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.2206   -1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4993    0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6025   -1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3292    0.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7414    1.4514    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9324    0.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5505    2.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1537    2.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1591    2.1559    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2637    1.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0546    3.1504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 26 30  1  6  0  0  0 
 26 25  1  0  0  0  0 
 23 30  1  6  0  0  0 
 25 24  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 15  1  0  0  0  0 
 24 28  1  1  0  0  0 
 25 29  1  1  0  0  0 
 17 18  1  0  0  0  0 
 17 16  1  0  0  0  0 
 16 15  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 19  2  0  0  0  0 
 19 18  1  0  0  0  0 
 18 22  2  0  0  0  0 
 16 21  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 35  1  0  0  0  0 
 36 35  1  0  0  0  0 
 32 34  1  0  0  0  0 
 32 33  2  0  0  0  0 
 36  7  1  0  0  0  0 
 36 37  1  0  0  0  0 
 36 38  2  0  0  0  0 
  5 14  1  0  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 14  1  0  0  0  0 
  1  7  1  4  0  0  0 
  3 12  1  6  0  0  0 
  5  6  1  6  0  0  0 
  4 13  2  0  0  0  0 
  2  8  1  1  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
S  SKP  7 
ID	BMMCPYURS603 
NAME	UDP-2-acetamido-4-dehydro-2,6-dideoxy-glucose 
FORMULA	C17H25N3O16P2 
EXACTMASS	589.071 
AVERAGEMASS	589.3385 
SMILES	CC(=O)N[C@H]([C@@H](O)3)C(O[C@H](C)C(=O)3)OP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04613 
M  END