KEGG   COMPOUND: C00164Help
Entry
C00164                      Compound                               

Name
Acetoacetate;
3-Oxobutanoic acid;
beta-Ketobutyric acid;
Acetoacetic acid
Formula
C4H6O3
Exact mass
102.0317
Mol weight
102.0886
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Synthesis and degradation of ketone bodies
Valine, leucine and isoleucine degradation
Lysine degradation
Tyrosine metabolism
Propanoate metabolism
Styrene degradation
Butanoate metabolism
Metabolic pathways
Microbial metabolism in diverse environments
Two-component system
Module
M00036  
Leucine degradation, leucine => acetoacetate + acetyl-CoA
M00044  
Tyrosine degradation, tyrosine => homogentisate
M00088  
Ketone body biosynthesis, acetyl-CoA => acetoacetate/3-hydroxybutyrate/acetone
Enzyme
1.1.1.30        1.1.99.24       1.8.1.5         2.8.3.5         
2.8.3.8         2.8.3.9         3.1.2.11        3.7.1.2         
4.1.1.4         4.1.3.4         4.2.1.27        6.2.1.16        
6.4.1.6
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   3-Oxocarboxylic acid
    C00164  Acetoacetate; 3-Oxobutanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C00164  3-Oxobutanoic acid
BRITE hierarchy
Other DBs
CAS: 
541-50-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        7
            1   C5a C    25.2700  -21.0000
            2   C1b C    26.4600  -21.6300
            3   C1a C    24.0100  -21.7000
            4   O5a O    25.2700  -19.6000
            5   C6a C    27.6500  -20.9300
            6   O6a O    27.6500  -19.5300
            7   O6a O    28.9100  -21.6300
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 2
            6     5   7 1

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