Mol:BMMCPYURS605

<pre>

Copyright: ARM project http://www.metabolome.jp/
 52 54  0  0  1  0  0  0  0  0999 V2000
   15.8564   -3.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9904   -4.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9904   -5.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8564   -5.6375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7224   -5.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5885   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -5.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -5.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -4.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -4.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -5.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5423    4.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5368    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1246    4.9149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7178    5.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7233    5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1355    5.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9435    3.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3056    6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9545    3.4014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9545    3.4014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6455    2.4503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4545    1.8625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4545    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3667    4.2104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6944    2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2635    2.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.6375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.5885   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5885   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -2.1375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.2224   -1.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2224   -3.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 50 49  1  0  0  0  0
 29 34  1  0  0  0  0
 50 51  2  0  0  0  0
 34 33  2  0  0  0  0
 49 46  1  0  0  0  0
 33 32  1  0  0  0  0
 46 48  1  0  0  0  0
  5  4  1  0  0  0  0
 46 45  1  0  0  0  0
  4  3  1  0  0  0  0
 46 47  2  0  0  0  0
  3  2  1  0  0  0  0
 45 41  1  0  0  0  0
 40 41  1  0  0  0  0
  2  1  1  0  0  0  0
 39 43  1  1  0  0  0
  1 27  1  0  0  0  0
 38 42  1  1  0  0  0
 37 29  1  0  0  0  0
  5 27  1  6  0  0  0
 32 36  2  0  0  0  0
 32 31  1  0  0  0  0
 30 35  2  0  0  0  0
  1 21  1  4  0  0  0
 23  7  1  0  0  0  0
 40 39  1  0  0  0  0
  7  8  1  0  0  0  0
  3 23  1  6  0  0  0
  8  9  1  0  0  0  0
 39 38  1  0  0  0  0
  9 10  1  0  0  0  0
  4 26  1  1  0  0  0
 10 11  1  0  0  0  0
 38 37  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
 12 13  1  0  0  0  0
 37 44  1  6  0  0  0
 13 14  1  0  0  0  0
  6 28  1  0  0  0  0
 14 15  1  0  0  0  0
 40 44  1  6  0  0  0
 15 16  1  0  0  0  0
  2 22  1  1  0  0  0
 16 17  1  0  0  0  0
 31 30  1  0  0  0  0
 17 18  1  0  0  0  0
 21 50  1  0  0  0  0
 18 19  1  0  0  0  0
 30 29  1  0  0  0  0
 19 20  1  0  0  0  0
 50 52  1  0  0  0  0
  7 24  2  0  0  0  0
  9 25  1  4  0  0  0
S  SKP  7
ID	BMMCPYURS605
NAME	UDP-3-O-(3-hydroxy-tetradecanoyl)-D-glucosamine
FORMULA	C29H51N3O18P2
EXACTMASS	791.2642
AVERAGEMASS	791.6721
SMILES	N[C@H]([C@H]1OC(=O)CC(CCCCCCCCCCC)O)C(OP(O)(=O)OP(OC[C@H]([C@H]2O)O[C@@H](N(C=3)C(NC(=O)C3)=O)[C@H](O)2)(O)=O)O[C@H](CO)[C@@H](O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06022
M  END

</pre>