Bovine Metabolome Database: Showing metabocard for Tetradecanol (BMDB0011638)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:22:07 UTC

Update Date

2020-04-22 15:45:43 UTC

BMDB ID

BMDB0011638

Secondary Accession Numbers

BMDB11638

Metabolite Identification

Common Name

Tetradecanol

Description

Tetradecanol, 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-Hydroxytetradecane	ChEBI
1-Tetradecanol	ChEBI
1-Tetradecyl alcohol	ChEBI
Myristic alcohol	ChEBI
Myristyl alcohol	ChEBI
N-Tetradecanol	ChEBI
N-Tetradecanol-1	ChEBI
N-Tetradecyl alcohol	ChEBI
Tetradecyl alcohol	ChEBI
Adol 18	HMDB
Alfol 14	HMDB
Conol 1495	HMDB
Kalcohl 40	HMDB
Kalcohl 4098	HMDB
Kalcol 4098	HMDB
Lanette 14	HMDB
Lanette K	HMDB
Lanette wax KS	HMDB
Lorol C 14	HMDB
Loxanol V	HMDB
N-Tetradecan-1-ol	HMDB
Nacol 14-95	HMDB
Tetradecanol (7ci)	HMDB
Tetradecan-1-ol	HMDB
Myristyl alcohol, aluminum salt	HMDB
Tetradecanol	ChEBI

Chemical Formula

C₁₄H₃₀O

Average Molecular Weight

214.3874

Monoisotopic Molecular Weight

214.229665582

IUPAC Name

tetradecan-1-ol

Traditional Name

myristyl alcohol

CAS Registry Number

112-72-1

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 Key

HLZKNKRTKFSKGZ-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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Long-chain fatty alcohols

Alternative Parents

Substituents

Long chain fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain primary fatty alcohol (CHEBI:77417 )
fatty alcohol 14:0 (CHEBI:77417 )
Fatty alcohols (LMFA05000041 )
a long-chain alcohol (CPD-7875 )
a primary alcohol (CPD-7875 )
a fatty alcohol (CPD-7875 )

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cell membrane
Cytoplasm
Membrane

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	39.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	6.03	BURKHARD,LP ET AL. (1985B)

Predicted Properties

Property	Value	Source
logP	6.21	ALOGPS
logP	5.25	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	68.14 m³·mol⁻¹	ChemAxon
Polarizability	30.11 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
GC-MS	GC-MS Spectrum - GC-MS (1 TMS)	splash10-00di-7590000000-977855648ce1bb3be347	View in MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4l-9000000000-32d5eef1c4d74b3ec3ba	View in MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-052f-9000000000-acacbf10a3263c94194f	View in MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a5c-9100000000-2616129ec4a43b6c0102	View in MoNA
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-7590000000-977855648ce1bb3be347	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0563-9600000000-eec06d9397af9c3a7e99	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00di-9620000000-4b25e0c0e809382e8217	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
LC-MS/MS	LC-MS/MS Spectrum - NA , positive	splash10-006x-4900000000-9984d821b36fbb9446e6	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00kb-0960000000-3c72c9bef17048b10a31	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-4910000000-9c450227835d31d57a2a	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9300000000-e8c01d4094b22e4ad7a0	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0390000000-24c96d483d78255edac3	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-1980000000-7c6d57144abbe039abdd	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000w-8900000000-c66ca1bb8fdb18f90e99	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9340000000-c451e7bae87af519149a	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0ab9-9000000000-2e144a890203dcbb17fb	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9000000000-cbaa89cc20f0bcb181ab	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0090000000-66f23677a88c1ed92476	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0090000000-d479398c0f5329e2e292	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-08fu-9640000000-3871dae38884d89b8f4d	View in MoNA