Arachidic acid - Moligand™,10mM in DMSO , CAS No.506-30-9

CAS: 506-30-9 Cat. No.: A424358 Molecular Weight: 312.53 Beilstein Registry Number: 1788211 EC Number: 208-031-3

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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-

Specifications & Purity

Moligand™, 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
• RTECS: JX3780000
• Molecular Weight: 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
    • 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: 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
• Description: 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

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

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.425
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 328°C
• Melt Point(°C): 74-77°C
• Molecular Weight: 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

References

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