8(S)-HETrE - ≥98%, A solution in ethanol , CAS No.889573-69-7

CAS: 889573-69-7 Cat. No.: H342822 Summenformel: C₂₀H₃₄O₃ Molekulargewicht: 322.5

GRADE & PURITY ≥98%, A solution in ethanol

Synonyms

AKOS027270066 | LMFA03050011 | SR-01000946937-1 | (S,9E,11Z,14Z)-8-Hydroxyicosa-9,11,14-trienoic acid | 8(S)-HETrE | 8S-HETrE | 8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid | SR-01000946937 | CHEBI:140473 | (8S,9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

A monohydroxy polyunsaturated fatty acid produced by rabbit neutrophil lipoxygenase when dihomo-γ-linolenic acid is used as a substrate. Although the biological activities of 8(S)-HETrE have not been well characterized, it is hypothesized to behave similarly to 8(S)-HETE.

Specifications

Synonyme

AKOS027270066 | LMFA03050011 | SR-01000946937-1 | (S,9E,11Z,14Z)-8-Hydroxyicosa-9,11,14-trienoic acid | 8(S)-HETrE | 8S-HETrE | 8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid | SR-01000946937 | CHEBI:140473 | (8S,9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic aci

Spezifikationen & Reinheit

≥98%, A solution in ethanol

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCC=CCC=CC=CC(CCCCCCC(=O)O)O
• IUPAC Name: (8S,9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic acid
• InChIKey: SKIQVURLERJJCK-RDCCVJQZSA-N
• INCHI: 1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,16-13+/t19-/m1/s1
• Isomere SMILES: CCCCC/C=C\C/C=C\C=C\[C@H](CCCCCCC(=O)O)O
• Molekulargewicht: 322.5
• Reaxy-Rn: 61837486
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61837486&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyeicosatrienoic 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: Hydroxyeicosatrienoic 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
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds.
• External Descriptors: Hydroxy/hydroperoxyeicosatrienoic 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 322.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 322.251 Da
• Monoisotopic Mass: 322.251 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 889573-69-7, the molecular formula is C20H34O3, and the molecular weight is 322.5 g/mol. InChIKey SKIQVURLERJJCK-RDCCVJQZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.