Mol:BMAXDP--0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
5.4641 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.8400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 10 1 0 0 0 0
9 8 1 0 0 0 0
8 13 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
11 1 2 0 0 0 0
2 1 1 0 0 0 0
2 7 1 1 0 0 0
4 6 1 0 0 0 0
5 4 1 0 0 0 0
1 12 1 0 0 0 0
8 7 1 0 0 0 0
S SKP 7
ID BMAXDP--0010
NAME Glycyl-L-leucine
FORMULA C8H16N2O3
EXACTMASS 188.116
AVERAGEMASS 188.2243
SMILES NCC(=O)N[C@@H](CC(C)C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02155
M END
