KEGG   COMPOUND: C00246
Entry
C00246                      Compound                               
Name
Butanoic acid;
Butanoate;
Butyrate;
Butyric acid
Formula
C4H8O2
Exact mass
88.0524
Mol weight
88.1051
Structure
Reaction
Pathway
map00650  Butanoate metabolism
map01100  Metabolic pathways
map04973  Carbohydrate digestion and absorption
map04974  Protein digestion and absorption
Enzyme
1.3.1.31        2.7.2.7         2.8.3.8         2.8.3.9         
3.1.1.51        3.6.1.20        3.7.1.7         6.2.1.2
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Monocarboxylic acids
    C00246  Butyrate; Butanoate
 Lipids
  Fatty acids
   Saturated fatty acids
    C00246  Butyric acid (4:0)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C00246  Butanoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Saturated fatty acids
    C00246  Butyric acid
Other DBs
CAS: 107-92-6
PubChem: 3545
ChEBI: 17968 30772
LIPIDMAPS: LMFA01010004
KNApSAcK: C00001180
PDB-CCD: BUA[PDBj]
3DMET: B00070
NIKKAJI: J4.068A
KCF data

ATOM        6
            1   C1b C    25.6079  -16.8921
            2   C6a C    24.4028  -16.1935
            3   C1b C    26.8246  -16.1935
            4   O6a O    23.1862  -16.8921
            5   O6a O    24.4028  -14.7905
            6   C1a C    28.0356  -16.8921
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1

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