Mol:BMAAS5ALq001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 1 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 2 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
2.8660 1.2500 0.0000 N 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
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
1 7 1 0 0 0 0
1 2 1 0 0 0 0
1 8 2 0 0 0 0
3 4 1 0 0 0 0
5 10 2 0 0 0 0
2 6 1 6 0 0 0
4 5 1 0 0 0 0
4 9 1 6 0 0 0
S SKP 7
ID BMAAS5ALq001
NAME (2S,4R) -2-Amino-4-hydroxy-5-oxopentanoic acid
CAS_RN 106454-68-6
FORMULA C5H9NO4
EXACTMASS 147.0531
AVERAGEMASS 147.1293
SMILES O=C[C@H](O)C[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05938
M END
