KEGG   COMPOUND: C00671Help
Entry
C00671                      Compound                               

Name
(S)-3-Methyl-2-oxopentanoic acid;
(S)-3-Methyl-2-oxopentanoate;
(3S)-3-Methyl-2-oxopentanoic acid;
(3S)-3-Methyl-2-oxopentanoate
Formula
C6H10O3
Exact mass
130.063
Mol weight
130.1418
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine 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
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Enzyme
1.2.1.25        1.2.4.4         1.2.7.7         1.4.1.9         
1.4.3.2         2.6.1.32        2.6.1.42        4.1.1.72        
4.2.1.9
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C00671  (S)-3-Methyl-2-oxopentanoic acid
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C00671  (S)-3-Methyl-2-oxopentanoic acid
BRITE hierarchy
Other DBs
PubChem: 3940
ChEBI: 15614 35146
LIPIDMAPS: LMFA01020275
PDB-CCD: 1QQ[PDBj]
3DMET: B01307
NIKKAJI: J264.814H
LinkDB All DBs
KCF data Show

ATOM        9
            1   C5a C    28.1304  -18.8852
            2   C1c C    26.9115  -18.1795
            3   C6a C    29.3428  -18.1795
            4   O5a O    28.1239  -20.2836
            5   C1b C    25.6926  -18.8852
            6   C1a C    26.9052  -16.7874
            7   O6a O    30.5488  -18.8852
            8   O6a O    29.3364  -16.7746
            9   C1a C    24.4868  -18.1987
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 2
            8     5   9 1

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