Mol:BMAXTP--q009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
15.9600 -10.7800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.1733 -11.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7467 -11.4800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.9600 -9.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3867 -10.6867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.1733 -12.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5333 -10.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1267 -8.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
19.6000 -11.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3200 -11.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5333 -9.4267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.8133 -10.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1067 -10.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0267 -11.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.8133 -9.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8933 -11.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6800 -11.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9400 -13.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5133 -11.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6800 -9.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3400 -9.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5533 -8.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
1 4 1 1 0 0
2 5 1 0 0 0
2 6 2 0 0 0
3 7 1 0 0 0
4 8 1 0 0 0
5 9 1 0 0 0
7 10 1 0 0 0
7 11 2 0 0 0
9 12 1 0 0 0
10 13 1 0 0 0
12 14 1 0 0 0
12 15 2 0 0 0
13 16 1 0 0 0
16 17 1 0 0 0
16 18 1 6 0 0
17 19 1 0 0 0
17 20 2 0 0 0
8 21 1 0 0 0
21 22 1 0 0 0
S SKP 6
NAME S- (Hydroxymethyl) glutathione
ID BMAXTP--q009
FORMULA C11H19N3O7S
EXACTMASS 337.094370667
AVERAGEMASS 337.35058000000004
SMILES OCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
M END
