Structure Database (LMSD)

Common Name
Caprylic acid
Systematic Name
octanoic acid
Synonyms
  • Octylic acid
  • C8:0
LM ID
LMFA01010008
Formula
Exact Mass
Calculate m/z
144.11503
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
WWZKQHOCKIZLMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
SMILES (Click to copy)
CCCCCCCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0008
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 161.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.43
Molar Refractivity 41.01

Reactions

Filter by species:
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022