KEGG   COMPOUND: C00141Help
Entry
C00141                      Compound                               
Name
3-Methyl-2-oxobutanoic acid;
3-Methyl-2-oxobutyric acid;
3-Methyl-2-oxobutanoate;
2-Oxo-3-methylbutanoate;
2-Oxoisovalerate;
2-Oxoisopentanoate;
alpha-Ketovaline;
2-Ketovaline;
2-Keto-3-methylbutyric acid
Formula
C5H8O3
Exact mass
116.0473
Mol weight
116.1152
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Valine, leucine and isoleucine biosynthesis
Pantothenate and CoA biosynthesis
Glucosinolate biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
2-Oxocarboxylic acid metabolism
Biosynthesis of amino acids
Enzyme
1.1.1.84        1.2.1.25        1.2.4.4         1.2.7.7         
1.4.1.8         1.4.1.9         1.4.1.23        2.1.2.11        
2.3.3.13        2.6.1.6         2.6.1.32        2.6.1.42        
2.6.1.66        4.1.2.12        4.2.1.9
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylate
    C00141  2-Oxoisovalerate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C00141  3-Methyl-2-oxobutanoic acid
BRITE hierarchy
Other DBs
CAS: 
759-05-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        8
            1   C5a C    22.1200  -16.5574
            2   C1c C    20.9110  -15.8564
            3   C6a C    23.3290  -15.8564
            4   O5a O    22.1200  -18.2327
            5   C1a C    19.6957  -16.5574
            6   C1a C    20.9110  -14.4546
            7   O6a O    24.5443  -16.5574
            8   O6a O    23.3290  -14.4546
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2

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