Mol:BMAXTP--0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 19 0 0 1 0 0 0 0 0999 V2000 | + | 20 19 0 0 1 0 0 0 0 0999 V2000 |
| − | 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.5000 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 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 | + | 7.1962 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 2 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 | + | 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -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 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 N 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 | + | 7.1962 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8 10 1 6 0 0 0 | + | 8 10 1 6 0 0 0 |
| − | 1 16 2 0 0 0 0 | + | 1 16 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 1 15 1 0 0 0 0 | + | 1 15 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 7 14 1 0 0 0 0 | + | 7 14 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 12 20 2 0 0 0 0 | + | 12 20 2 0 0 0 0 |
| − | 5 17 2 0 0 0 0 | + | 5 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXTP--0003 | + | ID BMAXTP--0003 |
| − | NAME Glutathione | + | NAME Glutathione |
| − | FORMULA C10H17N3O6S | + | FORMULA C10H17N3O6S |
| − | EXACTMASS 307.0838 | + | EXACTMASS 307.0838 |
| − | AVERAGEMASS 307.3246 | + | AVERAGEMASS 307.3246 |
| − | SMILES OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O | + | SMILES OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00051 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00051 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.5000 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
4.5981 1.0000 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
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 2 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
4.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -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 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 N 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
5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 10 1 6 0 0 0
1 16 2 0 0 0 0
8 7 1 0 0 0 0
3 4 1 0 0 0 0
8 9 1 0 0 0 0
1 15 1 0 0 0 0
9 11 1 0 0 0 0
4 5 1 0 0 0 0
7 14 1 0 0 0 0
1 2 1 0 0 0 0
14 13 1 0 0 0 0
2 6 1 1 0 0 0
7 18 2 0 0 0 0
5 10 1 0 0 0 0
13 12 1 0 0 0 0
2 3 1 0 0 0 0
12 20 2 0 0 0 0
5 17 2 0 0 0 0
12 19 1 0 0 0 0
S SKP 7
ID BMAXTP--0003
NAME Glutathione
FORMULA C10H17N3O6S
EXACTMASS 307.0838
AVERAGEMASS 307.3246
SMILES OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00051
M END
