Mol:BMFYS3CAf016
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 9 0 0 0 0 0 0 0 0999 V2000 | + | 10 9 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 7 2 0 0 0 0 | + | 4 7 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 2 10 2 0 0 0 0 | + | 2 10 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 1 9 2 0 0 0 0 | + | 1 9 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYS3CAf016 | + | ID BMFYS3CAf016 |
| − | NAME 3-Sulfo-pyruvic acid | + | NAME 3-Sulfo-pyruvic acid |
| − | FORMULA C3H4O6S | + | FORMULA C3H4O6S |
| − | EXACTMASS 167.9728 | + | EXACTMASS 167.9728 |
| − | AVERAGEMASS 168.1262 | + | AVERAGEMASS 168.1262 |
| − | SMILES O=C(C(O)=O)CS(O)(=O)=O | + | SMILES O=C(C(O)=O)CS(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05528 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05528 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 7 2 0 0 0 0
3 2 1 0 0 0 0
5 4 2 0 0 0 0
2 10 2 0 0 0 0
4 3 1 0 0 0 0
4 6 1 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMFYS3CAf016
NAME 3-Sulfo-pyruvic acid
FORMULA C3H4O6S
EXACTMASS 167.9728
AVERAGEMASS 168.1262
SMILES O=C(C(O)=O)CS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05528
M END
