Eicosapentaenoic Acid-d5 - 500 μg/ml in ethanol , CAS No.1197205-73-4

CAS: 1197205-73-4 Cat. No.: E334619 분자식: C₂₀H₂₅D₅O₂ 분자량: 307.48 EC 번호: 998-774-6

GRADE & PURITY 500 μg/ml in ethanol

Synonyms

CHEBI:190750 | (5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid | J-008068 | EPA (d5) | LMFA01030761 | cis-5,8,11,14,17-Eicosapentaenoic acid-19,19,20,20,20-d5, 98 atom % D, 98% (CP) | Eicosapentaenoic Acid-d5 | cis-5,8,1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Eicosapentaenoic Acid-d5 is a deuterated ω-3 fatty acid abundantly available in marine organisms and is oxygenated by COX-1 and COX-2 at rates of about 5% and 30%, respectively, compared to arachidonic acid. It is intended for use as an internal standard for the quantification of EPA by GC- or LC-mass spectrometry. Eicosapentaenoic Acid-d5 is also an inhibitor of 5-LO.

Specifications

동의어

CHEBI:190750 | (5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid | J-008068 | EPA (d5) | LMFA01030761 | cis-5,8,11,14,17-Eicosapentaenoic acid-19,19,20,20,20-d5, 98 atom % D, 98% (CP) | Eicosapentaenoic Acid-d5 | cis-5,8,1

사양 및 순도

500 μg/ml in ethanol

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

• 정식 스마일: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
• IUPAC Name: (5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid
• InChIKey: JAZBEHYOTPTENJ-YSTLBCQOSA-N
• INCHI: 1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-/i1D3,2D2
• 이성체 SMILES: [2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
• WGK 독일: 3
• 분자량: 307.48
• Reaxy-Rn: 8989326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8989326&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: 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: 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
• 설명: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

화학 및 물리적 특성

• 용해성: Soluble in water (0.1 mg/ml at 25° C), ethanol (~100 mg/ml), DMSO (~100 mg/ml), and DMF (~100 mg/ml).
• 굴절률: n20D1.51
• 끓는점(°C): 78° C
• 분자량: 307.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 307.256 Da
• Monoisotopic Mass: 307.256 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 398.000
• Isotope Atom Count: 5
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 5
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 5
• Covalently-Bonded Unit Count: 1