Mol:BMCCPUAPS502

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  1  0  0  0  0  0999 V2000 
    2.9781   -1.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7213   -2.1441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5873   -1.6441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.3794   -0.6660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.0485    0.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6168   -3.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5009   -2.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3849   -0.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0267   -0.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8310   -3.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9650   -2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9650   -1.5553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8310   -1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.6970   -1.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.6970   -2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.4402   -0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   14.0334    0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   14.5630   -3.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3698    0.6660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   12.5777    1.6441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.7117    2.1441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.9685    1.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.9904    1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4912    2.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6071    3.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3753    0.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3212    0.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3431    1.1477    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1352    0.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5510    2.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3649    1.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6958    0.6124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4390   -0.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9527    1.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 14 19  1  0  0  0  0 
  2  7  1  1  0  0  0 
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  3  8  1  1  0  0  0 
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 16 20  1  0  0  0  0 
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 15 14  1  0  0  0  0 
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 12 13  1  0  0  0  0 
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 13 14  2  0  0  0  0 
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  3  4  1  0  0  0  0 
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  4  9  1  6  0  0  0 
  9  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
 15 16  2  0  0  0  0 
 22 21  1  0  0  0  0 
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 24 28  1  6  0  0  0 
 24 23  1  0  0  0  0 
 23 22  1  0  0  0  0 
  4  5  1  0  0  0  0 
 22 26  1  1  0  0  0 
 17 15  1  0  0  0  0 
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 24 25  1  0  0  0  0 
 29 25  1  0  0  0  0 
 21 19  1  0  0  0  0 
  1  6  1  6  0  0  0 
S  SKP  7 
ID	BMCCPUAPS502 
NAME	ADP-5-ribose 
FORMULA	C15H23N5O14P2 
EXACTMASS	559.0716 
AVERAGEMASS	559.3159 
SMILES	Nc(n4)c(n3)c(nc4)n(c3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@H](O)2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00301 
M  END