Showing metabocard for Tetradecanol (BMDB0011638)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:22:07 UTC
Update Date2020-04-22 15:45:43 UTC
BMDB IDBMDB0011638
Secondary Accession Numbers
  • BMDB11638
Metabolite Identification
Common NameTetradecanol
DescriptionTetradecanol, also known as myristic alcohol or kalcohl 40, 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, tetradecanol is considered to be a fatty alcohol lipid molecule. Tetradecanol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-HydroxytetradecaneChEBI
1-TetradecanolChEBI
1-Tetradecyl alcoholChEBI
Myristic alcoholChEBI
Myristyl alcoholChEBI
N-TetradecanolChEBI
N-Tetradecanol-1ChEBI
N-Tetradecyl alcoholChEBI
Tetradecyl alcoholChEBI
Adol 18HMDB
Alfol 14HMDB
Conol 1495HMDB
Kalcohl 40HMDB
Kalcohl 4098HMDB
Kalcol 4098HMDB
Lanette 14HMDB
Lanette KHMDB
Lanette wax KSHMDB
Lorol C 14HMDB
Loxanol VHMDB
N-Tetradecan-1-olHMDB
Nacol 14-95HMDB
Tetradecanol (7ci)HMDB
Tetradecan-1-olHMDB
Myristyl alcohol, aluminum saltHMDB
TetradecanolChEBI
Chemical FormulaC14H30O
Average Molecular Weight214.3874
Monoisotopic Molecular Weight214.229665582
IUPAC Nametetradecan-1-ol
Traditional Namemyristyl alcohol
CAS Registry Number112-72-1
SMILES
CCCCCCCCCCCCCCO
InChI Identifier
InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
InChI KeyHLZKNKRTKFSKGZ-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 Point39.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP6.03BURKHARD,LP ET AL. (1985B)
Predicted Properties
PropertyValueSource
logP6.21ALOGPS
logP5.25ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity68.14 m³·mol⁻¹ChemAxon
Polarizability30.11 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 IDHMDB0011638
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002891
KNApSAcK IDC00032309
Chemspider ID7917
KEGG Compound IDNot Available
BioCyc IDCPD-7875
BiGG IDNot Available
Wikipedia Link1-Tetradecanol
METLIN IDNot Available
PubChem Compound8209
PDB IDNot Available
ChEBI ID77417
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available