Mol:BMMCPYCTm014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 28  0  0  1  0  0  0  0  0999 V2000 
    3.5823    3.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9945    4.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.9811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8292   -1.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9632   -1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9632   -2.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8292   -3.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6953   -2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6953   -1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0972   -1.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8292   -4.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8292   -0.3757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.6382    0.2121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.3292    1.1632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.3292    1.1632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.7414    1.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6382    0.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9170    1.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0202    0.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7469    1.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1591    2.6767    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3501    2.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9682    3.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5714    3.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5768    3.3812    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6814    2.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4723    4.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 20 21  1  0  0  0  0 
 21 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 21 22  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 12  4  1  0  0  0  0 
 12 19  1  6  0  0  0 
 13 12  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  9  1  0  0  0  0 
 15 19  1  6  0  0  0 
 13 14  1  0  0  0  0 
 13 17  1  1  0  0  0 
  5  6  1  0  0  0  0 
  5 10  2  0  0  0  0 
  9  8  2  0  0  0  0 
 15 16  1  0  0  0  0 
 14 18  1  1  0  0  0 
  6  7  2  0  0  0  0 
  7 11  1  0  0  0  0 
 14 15  1  0  0  0  0 
  8  7  1  0  0  0  0 
 16 20  1  0  0  0  0 
 25  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
 25 27  1  0  0  0  0 
  2  3  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTm014 
NAME	CMP-ciliatine 
FORMULA	C11H20N4O10P2 
EXACTMASS	430.0654 
AVERAGEMASS	430.2449 
SMILES	NCCP(O)(=O)OP(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+C05673 
M  END