Mol:BMAXTP--o008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 5 18 2 0 0 0 0 | + | 5 18 2 0 0 0 0 |
| − | 8 10 1 1 0 0 0 | + | 8 10 1 1 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 7 14 1 0 0 0 0 | + | 7 14 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 2 6 1 6 0 0 0 | + | 2 6 1 6 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 1 17 2 0 0 0 0 | + | 1 17 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 12 20 2 0 0 0 0 | + | 12 20 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 15 22 2 0 0 0 0 | + | 15 22 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXTP--o008 | + | ID BMAXTP--o008 |
| − | NAME S-Formyl-glutathione | + | NAME S-Formyl-glutathione |
| − | FORMULA C11H17N3O7S | + | FORMULA C11H17N3O7S |
| − | EXACTMASS 335.0787 | + | EXACTMASS 335.0787 |
| − | AVERAGEMASS 335.3347 | + | AVERAGEMASS 335.3347 |
| − | SMILES O=CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O | + | SMILES O=CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01031 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01031 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 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 18 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 19 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 16 1 0 0 0 0
1 17 2 0 0 0 0
2 1 1 0 0 0 0
12 21 1 0 0 0 0
12 20 2 0 0 0 0
13 12 1 0 0 0 0
11 15 1 0 0 0 0
15 22 2 0 0 0 0
S SKP 7
ID BMAXTP--o008
NAME S-Formyl-glutathione
FORMULA C11H17N3O7S
EXACTMASS 335.0787
AVERAGEMASS 335.3347
SMILES O=CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01031
M END
