Showing metabocard for Arachidyl alcohol (BMDB0011619)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:21:48 UTC
Update Date2020-04-22 15:45:37 UTC
BMDB IDBMDB0011619
Secondary Accession Numbers
  • BMDB11619
Metabolite Identification
Common NameArachidyl alcohol
DescriptionArachidyl alcohol, also known as 1-eicosanol or eicosyl alcohol, belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, arachidyl alcohol is considered to be a fatty alcohol lipid molecule. Arachidyl alcohol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-EicosanolChEBI
Arachidic alcoholChEBI
Eicosan-1-olChEBI
Eicosyl alcoholChEBI
1-IcosanolHMDB
1-Icosanol (acd/name 4.0)HMDB
1-PrydroxyeicosaneHMDB
Arachic alcoholHMDB
EicosanolHMDB
Eicosanol-(1)HMDB
N-1-EicosanolHMDB
N-EicosanolHMDB
Arachidyl alcoholChEBI
Chemical FormulaC20H42O
Average Molecular Weight298.5469
Monoisotopic Molecular Weight298.323565966
IUPAC Nameicosan-1-ol
Traditional 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
Description belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentLong-chain fatty alcohols
Alternative Parents
Substituents
  • Long chain fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • 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
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 Area20.23 ŲChemAxon
Rotatable Bond Count18ChemAxon
Refractivity95.75 m³·mol⁻¹ChemAxon
Polarizability42.94 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0011619
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB007106
KNApSAcK IDNot Available
Chemspider ID11898
KEGG Compound IDNot Available
BioCyc IDCPD-7869
BiGG IDNot Available
Wikipedia LinkArachidyl_alcohol
METLIN IDNot Available
PubChem Compound12404
PDB IDNot Available
ChEBI ID75627
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available