Mol:BMAXTP--0006

From Metabolomics.JP
Jump to: navigation, search

BMAXTP--0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 23  0  0  1  0  0  0  0  0999 V2000 
    3.7320   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    3.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 13 18  1  1  0  0  0 
 13 14  1  0  0  0  0 
 13 12  1  0  0  0  0 
 12 23  1  0  0  0  0 
 12 24  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 10  1  0  0  0  0 
 17 22  2  0  0  0  0 
  8 10  1  1  0  0  0 
  8  7  1  0  0  0  0 
  8  9  1  0  0  0  0 
  7  6  1  0  0  0  0 
  7 21  2  0  0  0  0 
  2  6  1  1  0  0  0 
  2  3  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 19  1  0  0  0  0 
  1 20  2  0  0  0  0 
  3  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
S  SKP  7 
ID	BMAXTP--0006 
NAME	(2S) -2-Amino-6- [ [1- [ [(2R) -1-hydroxy-3-methyl-1-oxobutan-2-yl] amino] -1-oxo-3-sulfanylpropan-2-yl] amino] -6-oxohexanoic acid 
CAS_RN	 21566-74-5 
FORMULA	C14H25N3O6S 
EXACTMASS	363.1464 
AVERAGEMASS	363.4309 
SMILES	SC[C@H](NC(=O)CCC[C@H](N)C(O)=O)C(=O)N[C@H](C(C)C)C(O)=O 
SMILES	SC[C@H](NC(=O)CCC[C@H](N)C(O)=O)C(=O)N[C@H](C(C)C)C(O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox