ChemFOnt: Showing chemical card for TG(14:0/14:0/14:0) (CFc000022847)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:15:21 UTC

Chemfont ID

CFc000022847

Molecule Identification

Common Name

TG(14:0/14:0/14:0)

Definition

TG(14:0/14:0/14:0) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(14:0/14:0/14:0) is made up of three tetradecanoyl(R1) fatty acids.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,2,3-Propanetriol tritetradecanoate	ChEBI
1,2,3-Trimyristoylglycerol	ChEBI
1,2,3-Tritetradecanoylglycerol	ChEBI
Glycerol trimyristate	ChEBI
Glyceryl trimyristate	ChEBI
Glyceryl tritetradecanoate	ChEBI
Myristic acid triglyceride	ChEBI
Myristic triglyceride	ChEBI
Myristin	ChEBI
TAG(14:0/14:0/14:0)	ChEBI
TAG(42:0)	ChEBI
Tetradecanoic acid, 1,2,3-propanetriyl ester	ChEBI
TG 14:0/14:0/14:0	ChEBI
TG(42:0)	ChEBI
Tracylglycerol(14:0/14:0/14:0)	ChEBI
Tracylglycerol(42:0)	ChEBI
Trimyristoylglycerol	ChEBI
Tritetradecanoylglycerol	ChEBI
1,2,3-Propanetriol tritetradecanoic acid	Generator
Glycerol trimyristic acid	Generator
Glyceryl trimyristic acid	Generator
Glyceryl tritetradecanoic acid	Generator
Myristate triglyceride	Generator
Tetradecanoate, 1,2,3-propanetriyl ester	Generator
1,2,3-Tritetradecanoyl-rac-glycerol	HMDB
1-Myristoyl-2-myristoyl-3-myristoyl-glycerol	HMDB
1-Tetradecanoyl-2-tetradecanoyl-3-tetradecanoyl-glycerol	HMDB
2,3-Bis(tetradecanoyloxy)propyl myristate	HMDB
Dynasan 114	HMDB
Glycerol tritetradecanoate	HMDB
Myristin, tri- (8ci)	HMDB
Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester	HMDB
Tri-myristin	HMDB
Triacylglycerol	HMDB
Triglyceride	HMDB
Trimyristin	HMDB
TG(14:0/14:0/14:0)	Lipid Annotator, ChEBI

Chemical Formula

C₄₅H₈₆O₆

Average Molecular Weight

723.1607

Monoisotopic Molecular Weight

722.642440484

IUPAC Name

1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate

Traditional Name

trimyristin

CAS Registry Number

555-45-3

SMILES

[H]C(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI Identifier

InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3

InChI Key

DUXYWXYOBMKGIN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Triradylcglycerols

Direct Parent

Triacylglycerols

Alternative Parents

Substituents

Triacyl-sn-glycerol
Tricarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

triglyceride (CHEBI:77391 )
Triacylglycerols (LMGL03012616 )

Functional Ontology

Adipose tissue (PMID: 3812339)
Adipose tissue (HMDB: HMDB0042061)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21968696)

Cellular substructure

Organelle

Adiposome (HMDB: HMDB0042061)

Cell

All cells and tissues (PMID: 3812339)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0042061)

Source

Endogenous

Endogenous (HMDB: HMDB0042061)

Plant

Plant (HMDB: HMDB0042061)

Animal

Animal (HMDB: HMDB0042061)

Exogenous

Food

Food (HMDB: HMDB0042061)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Exogenous (HMDB: HMDB0042061)

Process

Role

Biological role

Nutrient (PMID: 121689)
Energy source (HMDB: HMDB0042061)

Storage

Fat storage (PMID: 3812339)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0042061)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	1.3e-05 g/L	ALOGPS
logP	10.31	ALOGPS
logP	16.26	ChemAxon
logS	-7.7	ALOGPS
pKa (Strongest Basic)	-6.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	78.9 Å²	ChemAxon
Rotatable Bond Count	44	ChemAxon
Refractivity	213.68 m³·mol⁻¹	ChemAxon
Polarizability	96.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0042061

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB002889

KNApSAcK ID

Not Available

Chemspider ID

10675

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11148

PDB ID

Not Available

ChEBI ID

77391

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for TG(14:0/14:0/14:0) (CFc000022847)

MOL for CFc000022847 (TG(14:0/14:0/14:0))

3D MOL for CFc000022847 (TG(14:0/14:0/14:0))

3D SDF for CFc000022847 (TG(14:0/14:0/14:0))

3D-SDF for CFc000022847 (TG(14:0/14:0/14:0))

PDB for CFc000022847 (TG(14:0/14:0/14:0))

3D PDB for CFc000022847 (TG(14:0/14:0/14:0))

SMILES for CFc000022847 (TG(14:0/14:0/14:0))

INCHI for CFc000022847 (TG(14:0/14:0/14:0))

Structure for CFc000022847 (TG(14:0/14:0/14:0))

3D Structure for CFc000022847 (TG(14:0/14:0/14:0))