ChemFOnt: Showing chemical card for Tetracosatetraenoic acid (24:4n-6) (CFc000002684)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:47:37 UTC

Chemfont ID

CFc000002684

Molecule Identification

Common Name

Tetracosatetraenoic acid (24:4n-6)

Definition

Tetracosatetraenoic acid n-6 is metabolized to radiolabelled monohydroxylated fatty acids (predominantly the 9-hydroxy positional isomer) but not to other lipoxygenase or cyclooxygenase products by the calcium ionophore-stimulated cells. (PMID: 8049246 ). Oxidation of tetracosatetraenoic acid n-6 is relatively normal in adrenoleukodystrophy cells and in the cells from one PD,peroxisomal disease patient.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Tetracosatetraenoate (24:4N-6)	Generator
Tetracosatetraenoic acid, (all-Z)-isomer	MeSH

Chemical Formula

C₂₄H₄₀O₂

Average Molecular Weight

360.5732

Monoisotopic Molecular Weight

360.302830524

IUPAC Name

tetracosa-2,4,6,8-tetraenoic acid

Traditional Name

tetracosa-2,4,6,8-tetraenoic acid

CAS Registry Number

None

SMILES

CCCCCCCCCCCCCCCC=CC=CC=CC=CC(O)=O

InChI Identifier

InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h16-23H,2-15H2,1H3,(H,25,26)

InChI Key

RZHACVKGHNMWOP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Unsaturated fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0006246)

Food

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Endogenous

Endogenous (HMDB: HMDB0006246)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Alpha Linolenic Acid and Linoleic Acid Metabolism (PathBank: SMP0087171)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	1.9e-05 g/L	ALOGPS
logP	8.95	ALOGPS
logP	8.73	ChemAxon
logS	-7.3	ALOGPS
pKa (Strongest Acidic)	4.81	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	118.33 m³·mol⁻¹	ChemAxon
Polarizability	48.65 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023858

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

152972

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Tetracosatetraenoic acid (24:4n-6) (CFc000002684)

MOL for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

3D MOL for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

3D SDF for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

3D-SDF for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

PDB for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

3D PDB for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

SMILES for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

INCHI for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

Structure for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))

3D Structure for CFc000002684 (Tetracosatetraenoic acid (24:4n-6))