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13-OxoODE - 54739-30-9, high purity , CAS No.54739-30-9

COA

Grade & Purity:

≥95%

Cas Number: 54739-30-9
Molecular Weight: 294.43
PubChem CID: 6446027

In stock

Item Number

O493302

Grouped product items
SKU	Size	Availability	Price	Qty
O493302-1mg	1mg	1	$791.90

a stimulator of cell proliferation

View related series

Asteraceae (2) Cell Cycle (2830) Leguminosae (5) Lipid metabolism (1912) Natural product (33)

Basic Description

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
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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).

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	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
Description	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
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

Product Properties

pKa	pKa: 4.78 (Predicted)

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(9Z,11E)-13-oxooctadeca-9,11-dienoic acid
INCHI	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+
InChIKey	JHXAZBBVQSRKJR-BSZOFBHHSA-N
Smiles	CCCCCC(=O)C=CC=CCCCCCCCC(=O)O
Isomeric SMILES	CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O
RTECS	RG0180250
Molecular Weight	294.43
Reaxy-Rn	31382889
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31382889&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
C2506755	Certificate of Analysis	Feb 05, 2025	O493302
G2424411	Certificate of Analysis	Jul 11, 2024	O493302
G2424410	Certificate of Analysis	Jul 11, 2024	O493302
C23161424	Certificate of Analysis	Dec 09, 2022	O493302

Chemical and Physical Properties

Solubility	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).
Sensitivity	light sensitive；Hygroscopic
Refractive Index	n20D~1.48
Boil Point(°C)	78° C
Molecular Weight	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 Å²
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

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