(±)15-HETE - ≥98%, 100 μg/ml in ethanol , CAS No.71030-36-9

CAS: 71030-36-9 Cat. No.: H351341 Formula: C₂₀H₃₂O₃ Molecular Weight: 320.5

GRADE & PURITY ≥98%, 100 μg/ml in ethanol

Synonyms

(±)15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid | (±)15-Hydroxyeicosatetraenoic Acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

One of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid, where the biological activity of (±)15-HETE is similar to that of its constituent enantiomers.

Specifications

Synonyms

(±)15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid | (±)15-Hydroxyeicosatetraenoic Acid

Specifications & Purity

≥98%, 100 μg/ml in ethanol

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

504765167

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765167

Canonical Smiles

CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)O

IUPAC Name

(5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoic acid

InChIKey

JSFATNQSLKRBCI-USWFWKISSA-N

INCHI

1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+

Isomeric SMILES

CCCCCC(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O

Alternate CAS

73836-87-0

Molecular Weight

320.5

Reaxy-Rn

29201510

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29201510&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyeicosatetraenoic acids
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxyeicosatetraenoic acid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds.
• External Descriptors: Hydroxy/hydroperoxyeicosatetraenoic 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

• Solubility: Soluble in DMSO and DMF (50 mg/mL). Soluble in PBS pH 7.2 (1 mg/mL)
• Sensitivity: Air & Light sensitive
• Molecular Weight: 320.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 320.235 Da
• Monoisotopic Mass: 320.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1