Mol:BMCCPTFOo003

From Metabolomics.JP
Jump to: navigation, search

BMCCPTFOo003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 52 54  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583   -4.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   14.1244   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1244   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7224   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8564   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   15.8564   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1244    3.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   14.9904    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9904    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8564    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1244    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1244   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8564   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.5885   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7224   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8564    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7224    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8564    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 20 15  1  0  0  0  0 
 30 31  1  0  0  0  0 
 34 49  1  0  0  0  0 
 31 32  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4 12  1  0  0  0  0 
 11  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
 29 28  1  0  0  0  0 
  2 13  1  0  0  0  0 
 34 50  2  0  0  0  0 
 28 47  1  0  0  0  0 
 36 37  1  0  0  0  0 
 28 46  2  0  0  0  0 
 38 51  2  0  0  0  0 
 32 48  2  0  0  0  0 
 11 12  2  0  0  0  0 
 12  5  1  0  0  0  0 
  6  5  1  4  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  4 40  2  0  0  0  0 
 29 33  1  1  0  0  0 
  6  9  1  0  0  0  0 
 38 52  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 15  1  0  0  0  0 
 33 27  1  0  0  0  0 
 10 14  1  0  0  0  0 
 37 38  1  0  0  0  0 
 14 41  2  0  0  0  0 
 35 39  1  6  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 35 34  1  0  0  0  0 
 24 22  1  0  0  0  0 
 29 30  1  0  0  0  0 
 24 25  1  1  0  0  0 
 35 36  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 15 16  2  0  0  0  0 
 21 42  2  0  0  0  0 
 16 17  1  0  0  0  0 
 24 23  1  0  0  0  0 
 17 18  2  0  0  0  0 
 23 43  1  0  0  0  0 
 18 19  1  0  0  0  0 
 23 44  2  0  0  0  0 
 19 20  2  0  0  0  0 
 27 45  2  0  0  0  0 
 32 39  1  0  0  0  0 
S  SKP  7 
ID	BMCCPTFOo003 
NAME	10-Formyl-THF-poly-L-glutamic acid 
FORMULA	C30H37N9O13 
EXACTMASS	731.251 
AVERAGEMASS	731.6676 
SMILES	C(O)(=O)[C@H](CCC(O)=O)NC(CC[C@@H](C(O)=O)NC(=O)CC[C@@H](C(O)=O)NC(c(c1)ccc(N(C=O)CC(C2)NC(C3=O)=C(N=C(N3)N)N2)c1)=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05929 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox