Docosatrienoic Acid - ≥98%, 50 mg/mL in ethanol , CAS No.28845-86-5

CAS: 28845-86-5 Cat. No.: D351186 Formula: C₂₂H₃₈O₂ Peso molecolare: 334.54

GRADE & PURITY ≥98%, 50 mg/mL in ethanol

Synonyms

BML3-B12 | IDI1_033792 | LMFA01030408 | DTXSID60920518 | AKOS027382331 | all-cis-13,16,19-docosatrienoic acid | HMS1989C04 | 1-(2,6-dichlorophenyl)-6-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one | 13,16,19-Docosatrie

Storage

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

Shipped In

Ice chest + Ice pads

Panoramica

Docosatrienoic Acid is a rare ω-3 fatty acid, polyunsaturated fatty acid, not readily detected in normal phospholipid PUFA pools. It inhibits [3H]-LTB4 binding to pig neutrophils at a concentration of 5 μM. Subject to oxidation – protect from air.

Specifications

Sinonimi

BML3-B12 | IDI1_033792 | LMFA01030408 | DTXSID60920518 | AKOS027382331 | all-cis-13,16,19-docosatrienoic acid | HMS1989C04 | 1-(2,6-dichlorophenyl)-6-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one | 13,16,19-Docosatrie

Specifiche e purezza

≥98%, 50 mg/mL in ethanol

Condizioni di conservazione di stoccaggio

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

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O
• IUPAC Name: (13Z,16Z,19Z)-docosa-13,16,19-trienoic acid
• InChIKey: WBBQTNCISCKUMU-PDBXOOCHSA-N
• INCHI: 1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-
• Isomeri SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O
• WGK Germania: 3
• Peso molecolare: 334.54
• Reaxy-Rn: 30590671
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30590671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Very long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - Unsaturated 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
• Descrizione: This compound belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
• External Descriptors: Unsaturated 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

Obiettivi associati (umani)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, hexane and methylene chloride
• Sensibilità: air sensitive；light sensitive
• Punto di ebollizione (°C): 78° C
• Peso molecolare: 334.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 334.287 Da
• Monoisotopic Mass: 334.287 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 353.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Domande frequenti

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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 28845-86-5, the molecular formula is C22H38O2, and the molecular weight is 334.54 g/mol. InChIKey WBBQTNCISCKUMU-PDBXOOCHSA-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.