Mol:BMAXTP--0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 10 1 0 0 0 0
5 20 2 0 0 0 0
8 10 1 1 0 0 0
8 7 1 0 0 0 0
8 9 1 0 0 0 0
9 11 1 0 0 0 0
7 21 2 0 0 0 0
7 14 1 0 0 0 0
14 13 1 0 0 0 0
2 6 1 6 0 0 0
1 18 1 0 0 0 0
1 19 2 0 0 0 0
2 1 1 0 0 0 0
12 22 1 0 0 0 0
12 23 2 0 0 0 0
13 12 1 0 0 0 0
16 17 1 1 0 0 0
16 15 1 0 0 0 0
16 25 1 0 0 0 0
15 11 1 0 0 0 0
15 24 2 0 0 0 0
S SKP 7
ID BMAXTP--0001
NAME (R)-S-Lactoyl-glutathione
FORMULA C13H21N3O8S
EXACTMASS 379.1049
AVERAGEMASS 379.3872
SMILES OC(=O)CNC(=O)[C@@H](NC(=O)CC[C@H](N)C(O)=O)CSC(=O)[C@@H](C)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03451
M END
</pre>
