Mol:BMCCPUADf012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  1  0  0  0  0  0999 V2000 
    2.9781   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473    0.5708    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.6254    0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2946    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3383    1.5218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2727    0.8981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7825   -3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9164   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9164   -1.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7825   -1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6485   -1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6485   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3916   -0.9279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9849   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9904   -0.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5145   -3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3212    0.6243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.5292    1.6025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.6631    2.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.9200    1.4333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.9418    1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2872   -1.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4427    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5586    3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3267    0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 20 26  1  6  0  0  0 
 20 19  1  0  0  0  0 
 17 26  1  6  0  0  0 
 19 18  1  0  0  0  0 
 17 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  6  1  0  0  0  0 
 17 15  1  0  0  0  0 
 18 24  1  1  0  0  0 
 19 25  1  1  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  5  1  1  0  0  0 
  1 23  1  0  0  0  0 
  1 22  2  0  0  0  0 
  2  1  1  0  0  0  0 
  7 12  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 10  2  0  0  0  0 
 15 14  1  0  0  0  0 
 14 13  2  0  0  0  0 
 13 11  1  0  0  0  0 
 10 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUADf012 
NAME	S-Adenosyl-L-homocysteine 
FORMULA	C14H20N6O5S 
EXACTMASS	384.1215 
AVERAGEMASS	384.412 
SMILES	OC(=O)[C@@H](N)CCSC[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+C00021 
M  END