Mol:BMFYB5CAr007
From Metabolomics.JP
(Difference between revisions)
| Line 24: | Line 24: | ||
S SKP 7 | S SKP 7 | ||
ID BMFYB5CAr007 | ID BMFYB5CAr007 | ||
| − | NAME | + | NAME 3-Hydroxy-3-methyl-2-oxopentanoic acid |
| + | CAS_RN 17125-32-5 | ||
FORMULA C6H10O4 | FORMULA C6H10O4 | ||
EXACTMASS 146.0579 | EXACTMASS 146.0579 | ||
Latest revision as of 17:46, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 1 0 0 0 0 0999 V2000
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 2 1 0 0 0 0
1 8 2 0 0 0 0
2 3 1 0 0 0 0
2 9 2 0 0 0 0
3 6 1 6 0 0 0
3 10 1 1 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
S SKP 7
ID BMFYB5CAr007
NAME 3-Hydroxy-3-methyl-2-oxopentanoic acid
CAS_RN 17125-32-5
FORMULA C6H10O4
EXACTMASS 146.0579
AVERAGEMASS 146.1412
SMILES CC[C@](C)(O)C(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06005
M END
