KEGG   COMPOUND: C00233
Entry
C00233                      Compound                               
Name
4-Methyl-2-oxopentanoate;
2-Oxoisocaproate;
alpha-Ketoisocaproate
Formula
C6H10O3
Exact mass
130.0630
Mol weight
130.14
Structure
Reaction
R01088 R01090 R01651 R01652 R01702 R07601 R08566 R10052
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00785  Lipoic acid metabolism
map00966  Glucosinolate biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00036  Leucine degradation, leucine => acetoacetate + acetyl-CoA
M00432  Leucine biosynthesis, 2-oxoisovalerate => 2-oxoisocaproate
Network
nt06024  Valine, leucine and isoleucine degradation
nt06032  Lipoic acid metabolism
Enzyme
1.1.1.85        1.2.1.25        1.2.4.4         1.2.7.7         
1.4.1.9         2.6.1.6         2.6.1.42        2.6.1.67
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C00233  2-Oxoisocaproate
Other DBs
CAS: 816-66-0
PubChem: 3532
ChEBI: 17865 48430
KNApSAcK: C00019677
PDB-CCD: COI[PDBj]
NIKKAJI: J39.557I
LinkDB
KCF data

ATOM        9
            1   C5a C    22.7306  -15.8055
            2   C1b C    21.5143  -16.5070
            3   C6a C    23.9403  -16.5070
            4   O5a O    22.7306  -14.4727
            5   C1c C    20.3046  -15.8055
            6   O6a O    25.1501  -15.8055
            7   O6a O    23.9403  -18.1134
            8   C1a C    19.0947  -16.5070
            9   C1a C    20.3046  -14.4727
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 1

» Japanese version

KEGG   COMPOUND: C00141
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;
alpha-Ketoisovalerate
Formula
C5H8O3
Exact mass
116.0473
Mol weight
116.12
Structure
Reaction
R01209 R01210 R01211 R01212 R01213 R01214 R01215 R01216
R01226 R01434 R01701 R02200 R04441 R07160 R07599
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00770  Pantothenate and CoA biosynthesis
map00785  Lipoic acid metabolism
map00966  Glucosinolate biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map01240  Biosynthesis of cofactors
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00119  Pantothenate biosynthesis, valine/L-aspartate => pantothenate
M00432  Leucine biosynthesis, 2-oxoisovalerate => 2-oxoisocaproate
M00913  Pantothenate biosynthesis, 2-oxoisovalerate/spermine => pantothenate
M00914  Coenzyme A biosynthesis, archaea, 2-oxoisovalerate => 4-phosphopantoate => CoA
Network
nt06024  Valine, leucine and isoleucine degradation
nt06032  Lipoic acid metabolism
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
Other DBs
CAS: 759-05-7
PubChem: 3441
ChEBI: 11851 16530
LIPIDMAPS: LMFA01020274
KNApSAcK: C00007623
PDB-CCD: KIV[PDBj]
NIKKAJI: J39.558G
LinkDB
KCF data

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

» Japanese version

KEGG   COMPOUND: C00671
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
130.0630
Mol weight
130.14
Structure
Reaction
R02196 R02197 R02199 R02200 R03171 R03894 R04225 R05070
R07603 R08567
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00785  Lipoic acid metabolism
map00966  Glucosinolate biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
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
Network
nt06024  Valine, leucine and isoleucine degradation
nt06032  Lipoic acid metabolism
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  (3S)-3-Methyl-2-oxopentanoic acid
Other DBs
PubChem: 3940
ChEBI: 15614 35146
LIPIDMAPS: LMFA01020275
PDB-CCD: 1QQ[PDBj]
NIKKAJI: J264.814H
LinkDB
KCF data

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

» Japanese version

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