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(±)11-HDoHE - 98%,100μg/mL in ethanoll, high purity , CAS No.87018-59-5

COA

Grade & Purity:

≥98%
100μg/mL in ethanoll

Cas Number: 87018-59-5
Molecular Weight: 344.49
PubChem CID: 11631564

In stock

Item Number

H351339

Grouped product items
SKU	Size	Availability	Price	Qty
H351339-25μg	25μg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$76.90
H351339-50μg	50μg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$146.90

a potential marker of oxidative stress

Basic Description

Synonyms	11-hydroxy Docosahexaenoic Acid \| (±)11-HDHA \| 11-HDHA \| (±)11-hydroxy-4Z,7Z,9E,13Z,16Z,19Z-docosahexaenoic acid \| 11-hydroxy-4(Z),7(Z),9(E),13(Z),16(Z),19(Z)-docosahexaenoic acid
Specifications & Purity	≥98%, 100μg/mL in ethanoll
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	(±)11-HDoHE is an autoxidation product of docosahexaenoic acid (DHA) in vitro (1,2) and also produced from incubations of DHA in rat brain, intestinal microsomes and liver.3,4,5 DHA is metabolized to 11(S)-HDoHE by human platelets and canine retina.6,7,8,5 In addition to 11(S)-HDoHE, 14(S)-HDoHE is also produced by platelets. 11(S)-HDoHE was shown to be an inhibitor of U-46619-induced human platelet aggregation and rabbit and rat aortic smooth muscle contraction with IC50 values of about 50, 4.7, and 7.5μM, respectively. It is a potential marker of oxidative stress in brain and retina where DHA is abundant.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Very long-chain fatty acids
Alternative Parents	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	Very long-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description	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	Docosanoids
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

Names and Identifiers

IUPAC Name	(4Z,7Z,9E,13Z,16Z,19Z)-11-hydroxydocosa-4,7,9,13,16,19-hexaenoic acid
INCHI	InChI=1S/C22H32O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+
InChIKey	LTERDCBCHFKFRI-BGKMTWLOSA-N
Smiles	CCC=CCC=CCC=CCC(C=CC=CCC=CCCC(=O)O)O
Isomeric SMILES	CC/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CCC(=O)O)O
PubChem CID	11631564
Molecular Weight	344.49

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
B2324625	Certificate of Analysis	Jan 06, 2023	H351339
B2324546	Certificate of Analysis	Jan 06, 2023	H351339

Chemical and Physical Properties

Solubility	Soluble in DMSO, DMF, and PBS (pH 7.2) (~0.8 mg/ml).
Refractive Index	n20D1.53 (Predicted)
Boil Point(°C)	78° C
Molecular Weight	344.500 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	344.235 Da
Monoisotopic Mass	344.235 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	493.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	6
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	6
Covalently-Bonded Unit Count	1

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