Arachidic acid - analytical standard,Moligand™ , CAS No.506-30-9

CAS: 506-30-9 Cat. No.: A110477 Peso molecular: 312.53 Beilstein Registry Number: 1788211 Número EC: 208-031-3

GRADE & PURITY Analytical standard, Moligand™

Synonyms

fatty acid 20:0 | NSC93983 | NSC-93983 | DTXCID3040859 | NSC 93983 | Elcosanoic Acid | InChI=1/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22 | C20:0 | PQB8MJD4RB | ARACHIDIC ACID [MI] | BDBM50463966 | CH3-[CH2]18-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A saturated fatty acid found naturally in fish and vegetable oils, and it can also be formed by the hydrogenation of arachidonic acid. Diets rich in saturated fatty acids such as arachidic acid, are known to increase serum low-density lipoproteins resulting in high blood cholesterol levels. Because of its surfactant-like properties, arachidic acid is used in the manufacture of pharmaceuticals, soaps, cosmetics, and food packaging.
A saturated fatty acid.

Specifications

Sinónimos

fatty acid 20:0 | NSC93983 | NSC-93983 | DTXCID3040859 | NSC 93983 | Elcosanoic Acid | InChI=1/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2, 1H3, (H, 21, 22 | C20:0 | PQB8MJD4RB | ARACHIDIC ACID [MI] | BDBM50463966 | CH3-[CH2]18-

Especificaciones y pureza

analytical standard, Moligand™

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard, Moligand™

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: icosanoic acid
• InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
• INCHI: 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
• RTECS: JX3780000
• Peso molecular: 312.53
• Beilstein: 1788211
• Reaxy-Rn: 1788211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788211&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: 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: 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
• Descripción: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

Trpv2 Transient receptor potential cation channel subfamily V member 2 (148 Activities)

Discover Target: Trpv2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, ether, ethanol (~0.1 mg/ml), and DMF (~2 mg/ml). Insoluble in water.
• Índice de refracción: 1.425
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 328°C
• Punto de fusión (°C): 74-77°C
• Peso molecular: 312.500 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• 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

Referencias

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