Mol:BMCCPUADc015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  1  0  0  0  0  0999 V2000 
    2.9135    2.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0181    1.8786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.9316    1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0361    0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2091    1.2909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9497    0.0707    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7226    3.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0303   -2.9610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1643   -3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.2982   -2.9610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.2982   -1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1643   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0303   -1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9563   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9618   -0.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5551   -1.2918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8963   -1.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5769   -1.4997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.1702   -2.4133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.1757   -2.3088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.9678   -1.3306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.0542   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6702   -3.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5065   -3.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8338   -0.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 17 12  1  0  0  0  0 
 19 17  1  0  0  0  0 
 17 16  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 11  2  0  0  0  0 
 19 26  1  1  0  0  0 
 19 20  1  0  0  0  0 
 16 15  2  0  0  0  0 
 13 14  2  0  0  0  0 
 11 10  1  0  0  0  0 
 22 26  1  1  0  0  0 
 20 21  1  0  0  0  0 
 20 24  1  6  0  0  0 
 14  9  1  0  0  0  0 
 14 18  1  0  0  0  0 
 22 23  1  0  0  0  0 
 21 25  1  6  0  0  0 
 23  6  1  0  0  0  0 
  6  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 
  2  5  1  6  0  0  0 
  1  8  1  0  0  0  0 
  1  7  2  0  0  0  0 
 13 15  1  0  0  0  0 
 10  9  2  0  0  0  0 
 22 21  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUADc015 
NAME	2-Amino-4- [ [(2S,3S,4R,5S) -5- (6-aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methylselanyl] butanoic acid 
CAS_RN	4053-91-2 
FORMULA	C14H20N6O5Se 
EXACTMASS	432.066 
AVERAGEMASS	431.306 
SMILES	OC(=O)[C@@H](N)CC[Se]C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05692 
M  END