Mol:BMMCHC--k017

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    6.3301   -0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.0429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7570   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1712   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7570   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  7  1  0  0  0  0 
  2  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  2  3  1  1  0  0  0 
  8 10  2  0  0  0  0 
 13  6  1  0  0  0  0 
 11 14  2  0  0  0  0 
  1 15  1  0  0  0  0 
  6 11  1  0  0  0  0 
  1 16  2  0  0  0  0 
S  SKP  7 
ID	BMMCHC--k017 
NAME	(2S) -5- (Diaminomethylideneamino) -2- (2-oxoazetidin-1-yl) pentanoic acid 
CAS_RN	148601-26-7 
FORMULA	C9H16N4O3 
EXACTMASS	228.1222 
AVERAGEMASS	228.2485 
SMILES	NC(=N)NCCC[C@@H](C(O)=O)N(C1)C(=O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06656 
M  END