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: D05220
Reaction
Pathway
map00061  Fatty acid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01100  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: 8658
ChEBI: 28837
ChEMBL: CHEMBL324846
LIPIDMAPS: LMFA01010008
LipidBank: DFA0008
KNApSAcK: C00001231
PDB-CCD: OCA[PDBj]
3DMET: B02018
NIKKAJI: J2.013C
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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