Mol:BMAXTP--0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | 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 -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 | + | 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 -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 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 8.0622 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 | + | 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 | + | 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 | + | 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 | + | 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 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 20 2 0 0 0 0 | + | 5 20 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 21 2 0 0 0 0 | + | 7 21 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 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 1 19 2 0 0 0 0 | + | 1 19 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 12 23 2 0 0 0 0 | + | 12 23 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 16 17 1 1 0 0 0 | + | 16 17 1 1 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 15 11 1 0 0 0 0 | + | 15 11 1 0 0 0 0 |
| − | 15 24 2 0 0 0 0 | + | 15 24 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXTP--0001 | + | ID BMAXTP--0001 |
| − | NAME (R)-S-Lactoyl-glutathione | + | NAME (R)-S-Lactoyl-glutathione |
| − | FORMULA C13H21N3O8S | + | FORMULA C13H21N3O8S |
| − | EXACTMASS 379.1049 | + | EXACTMASS 379.1049 |
| − | AVERAGEMASS 379.3872 | + | 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 | + | 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 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03451 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
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
