20-carboxy Arachidonic Acid - A solution in ethanol , CAS No.79551-84-1

CAS: 79551-84-1 Cat. No.: C347982 Molecular Weight: 334.45 PubChem CID: 6437827

GRADE & PURITY A solution in ethanol

Synonyms

(5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenedioic acid | 20-carboxy AA | DTXSID901276219 | SR-01000946991-1 | (5Z,8Z,11Z,14Z)-icosatetraenedioic acid | (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenedioic acid | 20-carboxy Arachidonic Acid | 5(Z),8(Z),11(Z),14(Z)-e

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

20-carboxy arachidonic acid (20-COOH-AA) inhibits ion transport in the kidneys, much like its parent compound 20-HETE. Studies have shown that 20-carboxy arachidonic acid produces vasorelaxation of porcine coronary microvessels constricted with endothelin. Additionally, 20-carboxy arachidonic acid binds to and activates the isolated ligand binding domains of peroxisome proliferator-activated receptor α (PPARα, K|d|= 0.87 ± 0.12 μM) and PPARγ (K|d|= 1.7 ± 0.5 μM).

Specifications

Synonyms

(5Z, 8Z, 11Z, 14Z)-eicosa-5, 8, 11, 14-tetraenedioic acid | 20-carboxy AA | DTXSID901276219 | SR-01000946991-1 | (5Z, 8Z, 11Z, 14Z)-icosatetraenedioic acid | (5Z, 8Z, 11Z, 14Z)-icosa-5, 8, 11, 14-tetraenedioic acid | 20-carboxy Arachidonic Acid | 5(Z), 8(Z), 11(Z), 14(Z)-e

Specifications & Purity

A solution in ethanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Names and Identifiers

• Canonical Smiles: C(CCC(=O)O)CC=CCC=CCC=CCC=CCCCC(=O)O
• IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenedioic acid
• InChIKey: BGOJKUCHTMYINI-DTLRTWKJSA-N
• INCHI: 1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3-4,6-7,9-10,12H,2,5,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,6-4-,9-7-,12-10-
• Isomeric SMILES: C(CCC(=O)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
• PubChem CID: 6437827
• UN Number: 1170
• Packing Group: II
• Molecular Weight: 334.45

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 Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Dicarboxylic 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: Dicarboxylic 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

Chemical and Physical Properties

• Boil Point(°C): 78° C
• Molecular Weight: 334.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 334.214 Da
• Monoisotopic Mass: 334.214 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 445.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1