Mol:BMAXDP--c008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 1 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
4 11 1 0 0 0 0
3 5 1 0 0 0 0
1 13 1 0 0 0 0
1 14 2 0 0 0 0
11 10 1 0 0 0 0
11 17 2 0 0 0 0
5 6 1 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
8 12 1 4 0 0 0
7 15 1 0 0 0 0
7 16 2 0 0 0 0
S SKP 7
ID BMAXDP--c008
NAME 2-Amino-5- [(1-hydroxy-3-methylselanyl-1-oxopropan-2-yl) amino] -5-oxopentanoic acid
CAS_RN 26046-89-9
FORMULA C9H16N2O5Se
EXACTMASS 312.0224
AVERAGEMASS 311.1938
SMILES OC(=O)C(N)CCC(=O)N[C@H](C(O)=O)C[Se]C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05695
M END
