Mol:BMFYB3HOf002
From Metabolomics.JP
(Difference between revisions)
| Line 26: | Line 26: | ||
S SKP 7 | S SKP 7 | ||
ID BMFYB3HOf002 | ID BMFYB3HOf002 | ||
| − | NAME ( | + | NAME 2- [(2S) -2-Hydroxypropyl] sulfanylethanesulfonic acid |
| + | CAS_RN 244301-87-9 | ||
FORMULA C5H12O4S2 | FORMULA C5H12O4S2 | ||
EXACTMASS 200.0177 | EXACTMASS 200.0177 | ||
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
