(±)9-HODE - ≥98%,1 mg/ml solution in ethanol , CAS No.98524-19-7

CAS: 98524-19-7 Cat. No.: H345727 Peso molecular: 296.45

GRADE & PURITY ≥98%, 1 mg/ml solution in ethanol

Synonyms

Q50318263 | (??)9-HODE | 10,12-Octadecadienoicacid, 9-hydroxy-, (10E,12Z)- | 9-hydroxy-10,12-octadecadienoic acid, (S-(E,Z))-isomer | 9-Hydroxy-10(E),12(Z)-octadecadienoic acid | (+/-)-.ALPHA.-DIMORPHECOLIC ACID | 9-hydroxy-10,12-octadecadienoic acid, (E,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

(±)9-HODE is one of the two racemic monohydroxy fatty acids resulting from the non-enzymatic oxidation of linoleic acid. Approximately equal proportions of both isomers are found in plasma and mitochondrial membranes of rabbit reticulocytes. Oxidized LDL contains significant amounts of esterified 9- and 13-HpODEs and HODEs.

Specifications

Sinónimos

Q50318263 | (??)9-HODE | 10, 12-Octadecadienoicacid, 9-hydroxy-, (10E, 12Z)- | 9-hydroxy-10, 12-octadecadienoic acid, (S-(E, Z))-isomer | 9-Hydroxy-10(E), 12(Z)-octadecadienoic acid | (+/-)-.ALPHA.-DIMORPHECOLIC ACID | 9-hydroxy-10, 12-octadecadienoic acid, (E,

Especificaciones y pureza

≥98%, 1 mg/ml solution in ethanol

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• pKa: pKa: 4.78 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: CCCCCC=CC=CC(CCCCCCCC(=O)O)O
• IUPAC Name: (10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
• InChIKey: NPDSHTNEKLQQIJ-ZJHFMPGASA-N
• INCHI: 1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
• Isómeros SMILES: CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)O
• Peso molecular: 296.45
• Reaxy-Rn: 2217542
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217542&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• 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: Octadecanoid - 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
• Descripción: This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• External Descriptors: Other Octadecanoids

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

Objetivos asociados (humanos)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMF: 50 mg/ml；DMSO: 50 mg/ml；Ethanol: 50 mg/ml；PBS pH 7.2: 1 mg/ml
• Índice de refracción: n20D1.49 (Predicted)
• Punto de ebullición (°C): 78° C
• Peso molecular: 296.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 296.235 Da
• Monoisotopic Mass: 296.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1