Mol:BMAXDP--c016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 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
5.4641 1.0000 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
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 2 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 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 Se 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
2.8660 -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
6 7 1 0 0 0 0
6 5 1 0 0 0 0
6 9 1 6 0 0 0
7 8 1 0 0 0 0
5 14 1 0 0 0 0
5 13 2 0 0 0 0
8 10 1 0 0 0 0
10 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
2 4 1 6 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
S SKP 7
ID BMAXDP--c016
NAME Seleno-L-cystathionine
FORMULA C7H14N2O4Se
EXACTMASS 270.0118
AVERAGEMASS 269.1571
SMILES OC(=O)[C@@H](N)CC[Se]C[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05699
M END
