Mol:BMAXDP--0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
3 5 1 0 0 0 0
2 6 1 1 0 0 0
2 1 1 0 0 0 0
1 13 1 0 0 0 0
1 12 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 14 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 6 0 0 0
9 11 1 0 0 0 0
S SKP 6
ID BMAXDP--0013
NAME L-Cysteinyl-D-valine
FORMULA C8H16N2O3S
EXACTMASS 220.0881
AVERAGEMASS 220.2903
SMILES CC(C)[C@H](C(O)=O)NC(=O)[C@@H](N)CS
M END
