Mol:BMMCIZ--S531

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 31  0  0  1  0  0  0  0  0999 V2000 
    7.4931    0.4233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1841   -0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9931   -1.1155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8021   -0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4931    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7532   -0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9611   -1.8149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1201   -3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9122   -2.1239    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   11.6553   -1.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6064   -1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0809    1.2323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9053    1.2323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.2143    2.1834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.4053    2.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    4.6453    2.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   12.0711   -3.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.3495   -1.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8143   -2.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4963   -0.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1654    2.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4053    3.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9053    1.2323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9021    1.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    2.1323    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6420    1.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2601    3.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 14 13  1  0  0  0  0 
 13 25  1  6  0  0  0 
 16 25  1  6  0  0  0 
 16 15  1  0  0  0  0 
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 13  1  1  0  0  0  0 
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 27 30  1  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  2  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  5  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 22  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5 12  1  0  0  0  0 
  9  7  1  4  0  0  0 
  9 10  1  0  0  0  0 
  8 19  1  0  0  0  0 
  8 18  2  0  0  0  0 
  9  8  1  0  0  0  0 
 11 21  1  0  0  0  0 
 11 20  2  0  0  0  0 
 10 11  1  0  0  0  0 
S  SKP  6 
NAME	1- (5'-Phosphoribosyl) -5-amino-4- (N-succinocarboxamide) -imidazole 
ID	BMMCIZ--S531 
FORMULA	C13H19N4O12P 
EXACTMASS	454.07370860199995 
AVERAGEMASS	454.283481 
SMILES	OC(=O)CC(C(O)=O)NC(=O)c(n2)c(N)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 
M  END