Sodium oleate - Moligand™, ≥97%(T) , CAS No.143-19-1

CAS: 143-19-1 Cat. No.: S104196 Formula: C₁₈H₃₃NaO₂ Molecular Weight: 304.44 Beilstein Registry Number: 4046357 EC Number: 205-591-0

GRADE & PURITY Moligand™, ≥97%(T)

Synonyms

9-Octadecenoic acid | sodium salt | Oleic acid | sodium salt | cis-9-Octadecenoic acid sodium salt

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

9-Octadecenoic acid | sodium salt | Oleic acid | sodium salt | cis-9-Octadecenoic acid sodium salt

Specifications & Purity

Moligand™, ≥97%(T)

Biochemical and Physiological Mechanisms

Oleic acid increases hepatic secretion of apolipoprotein B100 in hepatocyte cell lines and in mice.Oleic acid inhibits apolipoprotein B100 secretion at higher physiologic doses.

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥97%(T)

Names and Identifiers

Pubchem Sid

504769513

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769513

Canonical Smiles

[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O

IUPAC Name

sodium;(Z)-octadec-9-enoate

InChIKey

BCKXLBQYZLBQEK-KVVVOXFISA-M

INCHI

1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+]

WGK Germany

3

RTECS

RK1200000

Molecular Weight

304.44

Beilstein

4046357

Reaxy-Rn

4046357

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: Unsaturated fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - 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: organic molecular entity

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)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Sensitive to light and air
• Melt Point(°C): 232-235°C
• Molecular Weight: 304.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 304.238 Da
• Monoisotopic Mass: 304.238 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3