Mol:BMAXDP--i001

From Metabolomics.JP
Revision as of 17:06, 11 June 2010 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

BMAXDP--i001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 20  0  0  1  0  0  0  0  0999 V2000 
    9.7942   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.0622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6602   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1961   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6 11  1  6  0  0  0 
  6  5  1  0  0  0  0 
  5 19  2  0  0  0  0 
  6  7  1  0  0  0  0 
  8  7  1  0  0  0  0 
  9 10  1  0  0  0  0 
  8  9  1  0  0  0  0 
 10 12  1  0  0  0  0 
  5  4  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 13 21  2  0  0  0  0 
 15 20  2  0  0  0  0 
  2  4  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 18  2  0  0  0  0 
  2  3  1  1  0  0  0 
  1 17  1  0  0  0  0 
S  SKP  7 
ID	BMAXDP--i001 
NAME	(2R) -2- [ [(2S) -2,6-Diacetamidohexanoyl] amino]propanoic acid 
CAS_RN	 120151-91-9 
FORMULA	C13H23N3O5 
EXACTMASS	301.1637 
AVERAGEMASS	301.3389 
SMILES	CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@H](C)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02487 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox