Mol:BMAXS5ALi002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 2 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
3.7321 0.5000 0.0000 C 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
5.4641 -0.5000 0.0000 N 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
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 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 9 1 0 0 0 0
1 10 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 11 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 12 2 0 0 0 0
S SKP 7
ID BMAXS5ALi002
NAME (2S) -2-Acetamido-5-oxopentanoic acid
CAS_RN 13074-21-0
FORMULA C7H11NO4
EXACTMASS 173.0688
AVERAGEMASS 173.1665
SMILES O=CCC[C@H](NC(C)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01250
M END
