13-OxoODE - ≥95% , CAS No.54739-30-9

CAS: 54739-30-9 Cat. No.: O493302 Formula: C₁₈H₃₀O₃ Peso molecolare: 294.43

GRADE & PURITY ≥95%

Synonyms

13-OxoODE | 13-OXO-ODE | 13-keto-9Z,11E-octadecadienoic acid | BDBM50045522 | PD020944 | 4-Amino-2-sulphodiphenylamine | 13-KODE | NCGC00161271-03 | 13-Oxo-9Z,11E-octadecadienoic acid | HMS1791C15 | JHXAZBBVQSRKJR-BSZOFBHHSA-N | 13-ketooctadecadienoic aci

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Product description：
13-OxoODE is produced from 13-HODE by a NAD+-dependent dehydrogenase present in rat colonic mucosa.1 Stimulates cell proliferation when instilled intrarectally in rats.2 Has also been detected in preparations of rabbit reticulocyte plasma and mitochondrial membranes, mostly esterified to phospholipids. Production of 13-oxoODE is putatively linked to the maturation of reticulocytes to erythrocytes through the activity of 15-LO. 13-OxoODE is an activator of PPAR α(peroxisome proliferator-activated receptor α).

Specifications

Sinonimi

13-OxoODE | 13-OXO-ODE | 13-keto-9Z,11E-octadecadienoic acid | BDBM50045522 | PD020944 | 4-Amino-2-sulphodiphenylamine | 13-KODE | NCGC00161271-03 | 13-Oxo-9Z,11E-octadecadienoic acid | HMS1791C15 | JHXAZBBVQSRKJR-BSZOFBHHSA-N | 13-ketooctadecadienoic aci

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥95%

Proprietà del prodotto

• pKa: pKa: 4.78 (Predicted)

Nomi e identificatori

• Pubchem Sid: 508807495
• Sorrisi canonici: CCCCCC(=O)C=CC=CCCCCCCCC(=O)O
• IUPAC Name: (9Z,11E)-13-oxooctadeca-9,11-dienoic acid
• InChIKey: JHXAZBBVQSRKJR-BSZOFBHHSA-N
• INCHI: 1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
• Isomeri SMILES: CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O
• RTECS: RG0180250
• Peso molecolare: 294.43
• Reaxy-Rn: 31382889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31382889&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Long-chain fatty acids Unsaturated fatty acids Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - Long-chain fatty acid - Unsaturated fatty acid - Fatty acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Descrizione: 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

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Discover Target: ALOX15B

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (>1 mg/ml at 25° C), ethanol, DMSO (~50 mg/ml), DMF (~50 mg/ml), and PBS (pH 7.2) (~1 mg/ml).
• Sensibilità: light sensitive；Hygroscopic
• Indice di rifrazione: n20D~1.48
• Punto di ebollizione (°C): 78° C
• Peso molecolare: 294.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 294.219 Da
• Monoisotopic Mass: 294.219 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 329.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1