Mol:BMMCPYCTS607

From Metabolomics.JP
Jump to: navigation, search

BMMCPYCTS607.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 37  0  0  1  0  0  0  0  0999 V2000 
    2.9945    4.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5823    4.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5768    4.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1646    3.3694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.1591    3.4739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.7469    2.6649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.7414    2.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.3292    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    4.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4013    5.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1756    3.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7579    2.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5659    4.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3402    1.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1482    3.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3238    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5816   -2.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.7156   -3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.7156   -4.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5816   -4.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4477   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4477   -3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8496   -2.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5816   -5.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5816   -1.7964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   13.3906   -1.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   13.0816   -0.2576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   12.0816   -0.2576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.4938    0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.3906   -1.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.6694    0.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.7726   -1.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4993    0.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9115    1.2559    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1025    0.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7206    1.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  9  1  0  0  0  0 
  1 10  2  0  0  0  0 
  2 11  2  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  1  0  0  0  0 
  6  7  1  0  0  0  0 
  4 12  1  6  0  0  0 
  5 13  1  1  0  0  0 
  6 14  1  1  0  0  0 
  7 15  1  6  0  0  0 
  7  8  1  0  0  0  0 
  8 16  1  0  0  0  0 
 28 32  1  6  0  0  0 
 28 27  1  0  0  0  0 
 25 32  1  6  0  0  0 
 27 26  1  0  0  0  0 
 25 26  1  0  0  0  0 
 28 29  1  0  0  0  0 
 26 30  1  1  0  0  0 
 27 31  1  1  0  0  0 
 25 17  1  0  0  0  0 
 16 34  1  0  0  0  0 
 34 33  1  0  0  0  0 
 34 35  2  0  0  0  0 
 34 36  1  0  0  0  0 
 33 29  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 17  1  0  0  0  0 
 17 22  1  0  0  0  0 
 22 21  2  0  0  0  0 
 21 20  1  0  0  0  0 
 20 19  2  0  0  0  0 
 18 23  2  0  0  0  0 
 20 24  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTS607 
NAME	CMP-3-deoxy-D-manno-octulosonic acid 
FORMULA	C17H26N3O15P 
EXACTMASS	543.1101 
AVERAGEMASS	543.3733 
SMILES	OC(=O)C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04121 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox