Mol:BMFYB3HOf002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 10 0 0 1 0 0 0 0 0999 V2000 | + | 11 10 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 4 11 2 0 0 0 0 | + | 4 11 2 0 0 0 0 |
| − | 4 9 2 0 0 0 0 | + | 4 9 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 6 5 1 6 0 0 0 | + | 6 5 1 6 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB3HOf002 | + | ID BMFYB3HOf002 |
| − | NAME ( | + | NAME 2- [(2S) -2-Hydroxypropyl] sulfanylethanesulfonic acid |
| − | FORMULA C5H12O4S2 | + | CAS_RN 244301-87-9 |
| − | EXACTMASS 200.0177 | + | FORMULA C5H12O4S2 |
| − | AVERAGEMASS 200.2783 | + | EXACTMASS 200.0177 |
| − | SMILES C[C@H](O)CSCCS(O)(=O)=O | + | AVERAGEMASS 200.2783 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11498 | + | SMILES C[C@H](O)CSCCS(O)(=O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11498 | ||
M END | M END | ||
| − | |||
Latest revision as of 16:33, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 10 1 0 0 0 0
4 11 2 0 0 0 0
4 9 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
7 6 1 0 0 0 0
6 8 1 0 0 0 0
6 5 1 6 0 0 0
S SKP 7
ID BMFYB3HOf002
NAME 2- [(2S) -2-Hydroxypropyl] sulfanylethanesulfonic acid
CAS_RN 244301-87-9
FORMULA C5H12O4S2
EXACTMASS 200.0177
AVERAGEMASS 200.2783
SMILES C[C@H](O)CSCCS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11498
M END
