KEGG   COMPOUND: C06423Help
Entry
C06423                      Compound                               

Name
Octanoic acid;
Caprylic acid;
Octylic acid
Formula
C8H16O2
Exact mass
144.115
Mol weight
144.2114
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Fatty acid biosynthesis
Biosynthesis of plant secondary metabolites
Biosynthesis of alkaloids derived from terpenoid and polyketide
Metabolic pathways
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Monocarboxylic acids
    C06423  Caprylate; Octanoate
 Lipids
  Fatty acids
   Saturated fatty acids
    C06423  Caprylic acid (8:0)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C06423  Octanoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Saturated fatty acids
    C06423  Octanoic acid
BRITE hierarchy
Other DBs
CAS: 
124-07-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        10
            1   C1b C    23.8599  -17.3604
            2   C1b C    25.0768  -18.0592
            3   C1b C    22.6486  -18.0592
            4   C1b C    26.2881  -17.3604
            5   C6a C    21.4316  -17.3604
            6   C1b C    27.4992  -18.0592
            7   O6a O    20.2205  -18.0592
            8   O6a O    21.4316  -15.9570
            9   C1b C    28.7162  -17.3604
            10  C1a C    29.9216  -18.0592
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 1
            9     9  10 1

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