Mol:BMMCPYCTS603

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 36  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -3.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660   -4.1375    0.0000 C   0  0  1  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 
    3.7321   -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  1  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 
    3.7321   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4179    4.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4124    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0002    4.9149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5935    5.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5990    5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0112    5.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8192    3.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1813    6.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8301    3.4014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.8301    3.4014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5211    2.4503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3301    1.8625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3301    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2423    4.2104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5701    2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1391    2.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.6375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4641   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.1375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0981   -1.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0981   -3.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5 10  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 10  1  0  0  0  0 
  5  6  1  6  0  0  0 
  1  7  1  4  0  0  0 
  4  9  2  0  0  0  0 
  2  8  1  1  0  0  0 
 22 26  1  6  0  0  0 
 22 21  1  0  0  0  0 
 19 26  1  6  0  0  0 
 21 20  1  0  0  0  0 
 19 20  1  0  0  0  0 
 22 23  1  0  0  0  0 
 20 24  1  1  0  0  0 
 21 25  1  1  0  0  0 
 19 11  1  0  0  0  0 
 31 28  1  0  0  0  0 
 28 27  1  0  0  0  0 
 28 30  2  0  0  0  0 
 28 29  1  0  0  0  0 
 27 23  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 11  1  0  0  0  0 
 11 16  1  0  0  0  0 
 16 15  2  0  0  0  0 
 15 14  1  0  0  0  0 
 14 13  2  0  0  0  0 
 12 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32  7  1  0  0  0  0 
 32 34  2  0  0  0  0 
 32 33  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTS603 
NAME	CDP-4-dehydro-3,6-dideoxy-D-glucose 
FORMULA	C15H23N3O14P2 
EXACTMASS	531.0655 
AVERAGEMASS	531.3024 
SMILES	NC(C=3)=NC(=O)N(C3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)CC(=O)[C@@H](C)2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04297 
M  END