Mol:BMFYB4CAp007
From Metabolomics.JP
(Difference between revisions)
| (One intermediate revision by one user not shown) | |||
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 9 8 0 0 1 0 0 0 0 0999 V2000 | + | 9 8 0 0 1 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 3.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 2 4 1 1 0 0 0 | + | 2 4 1 1 0 0 0 |
| − | 4 9 2 0 0 0 0 | + | 4 9 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 8 1 6 0 0 0 | + | 2 8 1 6 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB4CAp007 | + | ID BMFYB4CAp007 |
| − | NAME ( | + | NAME (2S) -2-Hydroxy-2-methyl-3-oxobutanoic acid |
| − | FORMULA C5H8O4 | + | CAS_RN 71698-08-3 |
| − | EXACTMASS 132.0422 | + | FORMULA C5H8O4 |
| − | AVERAGEMASS 132.1146 | + | EXACTMASS 132.0422 |
| − | SMILES CC(=O)[C@@](C)(O)C(O)=O | + | AVERAGEMASS 132.1146 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06010 | + | SMILES CC(=O)[C@@](C)(O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06010 | ||
M END | M END | ||
| − | |||
Latest revision as of 16:53, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
9 8 0 0 1 0 0 0 0 0999 V2000
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
2 4 1 1 0 0 0
4 9 2 0 0 0 0
5 4 1 0 0 0 0
1 7 2 0 0 0 0
2 1 1 0 0 0 0
2 8 1 6 0 0 0
2 3 1 0 0 0 0
S SKP 7
ID BMFYB4CAp007
NAME (2S) -2-Hydroxy-2-methyl-3-oxobutanoic acid
CAS_RN 71698-08-3
FORMULA C5H8O4
EXACTMASS 132.0422
AVERAGEMASS 132.1146
SMILES CC(=O)[C@@](C)(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06010
M END
