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

CAS: 98524-19-7 Cat. No.: H345727 분자식: C₁₈H₃₂O₃ 분자량: 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

개요

(±)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

동의어

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,

사양 및 순도

≥98%,1 mg/ml solution in ethanol

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

제품 특성

• pKa: pKa: 4.78 (Predicted)

이름과 식별자

• 정식 스마일: 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+
• 이성체 SMILES: CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)O
• 분자량: 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
    • 분류 Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMF: 50 mg/ml；DMSO: 50 mg/ml；Ethanol: 50 mg/ml；PBS pH 7.2: 1 mg/ml
• 굴절률: n20D1.49 (Predicted)
• 끓는점(°C): 78° C
• 분자량: 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

자주 묻는 질문

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 98524-19-7, the molecular formula is C18H32O3, and the molecular weight is 296.45 g/mol. InChIKey NPDSHTNEKLQQIJ-ZJHFMPGASA-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.