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 search
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00770  Pantothenate and CoA biosynthesis
map00966  Glucosinolate biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00119  Pantothenate biosynthesis, valine/L-aspartate => pantothenate
M00432  Leucine biosynthesis, 2-oxoisovalerate => 2-oxoisocaproate
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-Oxocarboxylic acids
    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: 3441
ChEBI: 11851 16530
ChEMBL: CHEMBL146554
LIPIDMAPS: LMFA01020274
LipidBank: DFA0388
KNApSAcK: C00007623
PDB-CCD: KIV[PDBj]
3DMET: B00039
NIKKAJI: J39.558G
LinkDB All DBs
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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