Mol:BMAXS5AMn003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 1 0 0 0 0
5 12 2 0 0 0 0
6 10 1 4 0 0 0
7 6 1 0 0 0 0
9 14 2 0 0 0 0
9 8 1 0 0 0 0
11 1 1 0 0 0 0
6 5 1 0 0 0 0
1 2 1 0 0 0 0
11 9 1 0 0 0 0
2 3 1 0 0 0 0
5 13 1 0 0 0 0
3 4 3 0 0 0 0
S SKP 7
ID BMAXS5AMn003
NAME (2S) -2-Amino-5- (2-cyanoethylamino) -5-oxopentanoic acid
CAS_RN 539-95-7
FORMULA C8H13N3O3
EXACTMASS 199.0956
AVERAGEMASS 199.2072
SMILES N#CCCNC(=O)CCC(N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06114
M END
