KEGG   COMPOUND: C01585Help
Entry
C01585                      Compound                               

Name
Hexanoic acid;
Hexanoate;
Hexylic acid;
n-Caproic acid
Formula
C6H12O2
Exact mass
116.0837
Mol weight
116.1583
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Monocarboxylic acid
    C01585  Capronate; Hexanoate
 Lipids
  Fatty acids
   Saturated fatty acids
    C01585  Caproic acid (6:0)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C01585  Hexanoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Saturated fatty acids
    C01585  Caproic acid
BRITE hierarchy
Other DBs
CAS: 
142-62-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        8
            1   C1b C    24.4329  -16.8366
            2   C1b C    25.6385  -16.1345
            3   C6a C    23.2157  -16.1345
            4   C1b C    26.8557  -16.8366
            5   O6a O    22.0100  -16.8366
            6   O6a O    23.2157  -14.7357
            7   C1b C    28.0672  -16.1345
            8   C1a C    29.2786  -16.8366
BOND        7
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     7   8 1

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