Record Information
Version3.6
Creation Date2009-01-29 15:55:51 UTC
Update Date2013-05-07 19:27:49 UTC
HMDB IDHMDB11619
Secondary Accession NumbersNone
Metabolite Identification
Common NameArachidyl alcohol
DescriptionArachidyl alcohol, also 1-icosanol, is a waxy substance used as an emollient in cosmetics. It is a straight-chain fatty alcohol (Wikipedia).
Structure
Thumb
Synonyms
  1. 1-Eicosanol
  2. 1-Icosanol
  3. 1-Icosanol (ACD/Name 4.0)
  4. 1-Prydroxyeicosane
  5. Arachic alcohol
  6. Arachidic alcohol
  7. Eicosan-1-ol
  8. Eicosanol
  9. Eicosanol-(1)
  10. Eicosyl alcohol
  11. N-1-Eicosanol
  12. N-Eicosanol
Chemical FormulaC20H42O
Average Molecular Weight298.5469
Monoisotopic Molecular Weight298.323565966
IUPAC Nameicosan-1-ol
Traditional IUPAC Namearachidyl alcohol
CAS Registry Number629-96-9
SMILES
CCCCCCCCCCCCCCCCCCCCO
InChI Identifier
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
InChI KeyBTFJIXJJCSYFAL-UHFFFAOYSA-N
Chemical Taxonomy
KingdomOrganic Compounds
Super ClassLipids
ClassFatty Alcohols
Sub ClassN/A
Other Descriptors
  • Aliphatic Acyclic Compounds
  • Fatty alcohols(Lipidmaps)
  • a fatty alcohol(Cyc)
  • a long-chain alcohol(Cyc)
  • a primary alcohol(Cyc)
Substituents
  • Primary Alcohol
Direct ParentFatty Alcohols
Ontology
StatusExpected and Not Quantified
Origin
  • Endogenous
  • Food
Biofunction
  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
Application
  • Nutrients
  • Stabilizers
  • Surfactants and Emulsifiers
Cellular locations
  • Extracellular
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point66.1 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
water solubility2.720E-05 g/LALOGPS
logP8.9ALOGPS
logP7.92ChemAxon
logS-7ALOGPS
pKa (strongest acidic)16.84ChemAxon
pKa (strongest basic)-2ChemAxon
physiological charge0ChemAxon
hydrogen acceptor count1ChemAxon
hydrogen donor count1ChemAxon
polar surface area20.23ChemAxon
rotatable bond count18ChemAxon
refractivity95.75ChemAxon
polarizability42.94ChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB007106
KNApSAcK IDNot Available
Chemspider ID11898
KEGG Compound IDNot Available
BioCyc IDCPD-7869
BiGG IDNot Available
Wikipedia Linkarachidyl alcohol
NuGOwiki LinkHMDB11619
Metagene LinkHMDB11619
METLIN IDNot Available
PubChem Compound12404
PDB IDNot Available
ChEBI ID545111
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Gene Name:
FAR1
Uniprot ID:
Q8WVX9
Gene Name:
FAR2
Uniprot ID:
Q96K12