Lignoceric acid - analytical standard , CAS No.557-59-5

CAS: 557-59-5 Cat. No.: L114405 Formula: C₂₄H₄₈O₂ Molecular Weight: 368.64 EC Number: 209-180-7

GRADE & PURITY Analytical standard

Synonyms

tetraicosanoic acid | EEF1376B-508E-4043-94E9-AC29747EA6AB | FA 24:0 | AKOS015892947 | LIGNOCERIC ACID [MI] | N-TETRACOSANOIC ACID | tetracosanic acid | Tetracosansaeure | UNII-RK3VCW5Y1L | RK3VCW5Y1L | CHEBI:28866 | 1219794-59-8 | AS-48043 | MFCD00002810

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Lignoceric Acid (Standard) is the standard substance of Lignoceric Acid, and it is applicable for quantitative analysis, quality control, and related research in biochemical experiments. Lignoceric Acid (tetracosanoic acid) is a 24-carbon saturated (24:0) fatty acid and a by-product of lignin production, which is synthesized in the developing brain.

Specifications

Synonyms

tetraicosanoic acid | EEF1376B-508E-4043-94E9-AC29747EA6AB | FA 24:0 | AKOS015892947 | LIGNOCERIC ACID [MI] | N-TETRACOSANOIC ACID | tetracosanic acid | Tetracosansaeure | UNII-RK3VCW5Y1L | RK3VCW5Y1L | CHEBI:28866 | 1219794-59-8 | AS-48043 | MFCD00002810

Specifications & Purity

analytical standard

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

528772109

Canonical Smiles

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

IUPAC Name

tetracosanoic acid

InChIKey

QZZGJDVWLFXDLK-UHFFFAOYSA-N

INCHI

1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

WGK Germany

3

Molecular Weight

368.64

Reaxy-Rn

1728237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728237&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Very long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain 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
• Description: This compound 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.
• External Descriptors: Straight chain fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 272°C
• Melt Point(°C): 82°C-86°C
• Molecular Weight: 368.600 g/mol
• XLogP3: 10.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 368.365 Da
• Monoisotopic Mass: 368.365 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 275.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1