Hexacosanoic acid - analytical standard , CAS No.506-46-7

CAS: 506-46-7 Cat. No.: H114408 Molecular Weight: 396.69 EC Number: 208-040-2

GRADE & PURITY Analytical standard

Synonyms

hexacosanoate (n-C26:0) | Cerotic acid | EINECS 208-040-2 | Hexacosanic acid | HY-113301 | HEXACOSANOIC ACID | cerinate | C26:0 | Hexacosanoic--d4 Acid | Ceratinic acid | D42CQN6P36 | n-Hexacosanoic acid | 7PO | A828220 | F16302 | hexaeicosanoic acid | DT

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

hexacosanoate (n-C26:0) | Cerotic acid | EINECS 208-040-2 | Hexacosanic acid | HY-113301 | HEXACOSANOIC ACID | cerinate | C26:0 | Hexacosanoic--d4 Acid | Ceratinic acid | D42CQN6P36 | n-Hexacosanoic acid | 7PO | A828220 | F16302 | hexaeicosanoic acid | DT

Specifications & Purity

analytical standard

Biochemical and Physiological Mechanisms

Very long chain fatty acid. β-oxidation substrate in peroxisomes. Shows proinflammatory effects. Biomarker for adrenoleukodystrophy. Blood-brain barrier permeable. Orally active.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Analytical standard

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: hexacosanoic acid
• InChIKey: XMHIUKTWLZUKEX-UHFFFAOYSA-N
• INCHI: 1S/C26H52O2/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(27)28/h2-25H2,1H3,(H,27,28)
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Molecular Weight: 396.69
• Reaxy-Rn: 1799681
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1799681&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(non-human)

P388 (20296 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4301
• Boil Point(°C): 250°C
• Melt Point(°C): 87-89°C
• Molecular Weight: 396.700 g/mol
• XLogP3: 11.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 396.397 Da
• Monoisotopic Mass: 396.397 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 301.000
• 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

References

1. Hao Liu, Zhiming Liu, Hao Zhang, Ke Huang, Xiaohui Liu, Hui Jiang, Xuemei Wang.  (2024)  Mineralized aggregates based on native protein phase transition for non-destructive diagnosis of seborrheic skin by surface-enhanced Raman spectroscopy.  Materials Horizons,      [PMID:39086255] [10.1039/D4MH00613E]