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74784-20-6

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74784-20-6 Usage

Classification

Chemical compound, oxylipin

Structure

13(S)-hydroperoxyoctadecatrienoic acid

Origin

Derived from fatty acids

Physiological role

Involved in various physiological processes

Anti-inflammatory properties

Known for its ability to reduce inflammation

Connection to jasmonic acid

Key player in the biosynthesis of this signaling molecule

Defense responses

Involved in plant defense responses

Anti-cancer properties

Has been found to possess anti-cancer properties

Therapeutic potential

Potential candidate for the development of novel therapeutic agents

Importance in research

Target for further research in pharmacology and medicine due to its role in mediating inflammation and cancer.

Check Digit Verification of cas no

The CAS Registry Mumber 74784-20-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,4,7,8 and 4 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 74784-20:
(7*7)+(6*4)+(5*7)+(4*8)+(3*4)+(2*2)+(1*0)=156
156 % 10 = 6
So 74784-20-6 is a valid CAS Registry Number.
InChI:InChI=1/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+/t17-/m0/s1

74784-20-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 13(S)-HOTRE

1.2 Other means of identification

Product number -
Other names 13S-HYDROXY-6Z,9Z,11E-OCTADECATRIENOIC ACID

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:74784-20-6 SDS

74784-20-6Downstream Products

74784-20-6Relevant academic research and scientific papers

Oxidation of Octadecatrienoic Acids in the Red Alga Lithothamnion corallioides: Structural and Stereochemical Studies of Conjugated Tetraene Fatty Acids and Bis Allylic Hydroxy Acids

Hamberg, Mats

, p. 3065 - 3072 (1993)

Enzymatic oxidation of (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid (γ-linolenic acid; 1a) in a preparation of the red alga Lithothamnion corallioides Crouan led to the formation of (6Z,8E,10E,12Z)-octadeca-6,8,10,12-tetraenoic acid 2a and (11R,6Z,9Z,12Z)-hydroxyoctadeca-6,9,12-trienoic acid 3a as the main products. (9Z,12Z,15Z)-Octadeca-(9,12,15)-trienoic acid (α-linolenic acid; 4a) was oxidized in an analogous way to yield (9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid (α-parinaric acid; 5a), (11S,9Z,12Z,15Z)-hydroxyoctadeca-9,12,15-trienoic acid 6a, and (14R,9Z,12Z,15Z)-hydroxyoctadeca-9,12,15-trienoic acid 7a.Isotope studies demonstrated that enzymatic conversion of the acid 1a into the tetraene 2a was accompanied by stereospecific eliminations of the pro-S and pro-R hydrogens from C-8 and C-11, respectively.The bis-allylic hydroxy acid 3a was formed from acid 1a by a reaction involving stereospecific elimination of the pro-S hydrogen from C-11 and incorporation of 1 atom of oxygen from water in the C-11 hydroxy group.Although the bis allylic hydroxy esters 3b, 6b, and 7b were chemically convertible into conjugated tetraenes by rapid acid-catalysed dehydration, enzymatic formation of conjugated tetraenes and hydroxy acids in Lithothamnion occured by independent pathways.

Regiospecificity of a novel bacterial lipoxygenase from Myxococcus xanthus for polyunsaturated fatty acids

An, Jung-Ung,Hong, Seung-Hye,Oh, Deok-Kun

, p. 823 - 833 (2018/05/14)

Lipoxygenase (LOX) is the key enzyme involved in the synthesis of oxylipins as signaling compounds that are important for cell growth and development, inflammation, and pathogenesis in various organisms. The regiospecificity of LOX from Myxococcus xanthus, a gram-negative bacterium, was investigated. The enzyme catalyzed oxygenation at the n-9 position in C20 and C22 polyunsaturated fatty acids (PUFAs) to form 12S- and 14S-hydroxy fatty acids (HFAs), respectively, and oxygenation at the n-6 position in C18 PUFAs to form 13-HFAs. The 12S-form products of C20 and C22 PUFAs by M. xanthus LOX is the first report of bacterial LOXs. The residues involved in regiospecificity were determined to be Thr397, Ala461, and Ile664 by analyzing amino acid alignment and a homology model based on human arachidonate 15-LOX with a sequence identity of 25%. Among these variants, the regiospecificity of the T397Y variant for C20 and C22 PUFAs was changed. This may be because of the reduced size of the substrate-binding pocket by substitution of the smaller Thr to the larger Tyr residue. The T397Y variant catalyzed oxygenation at the n-6 position in C20 and C22 PUFAs to form 15- and 17-hydroperoxy fatty acids, respectively. However, the oxygenation position of T397Y for C18 PUFAs was not changed. The discovery of bacterial LOX with novel regiospecificity will facilitate the biosynthesis of regiospecific?oxygenated signaling compounds.

Asymmetric synthesis of unnatural (Z,Z,E)-octadecatrienoid and eicosatrienoid by lipoxygenase-catalyzed oxygenation

Nanda,Yadav

, p. 1799 - 1806 (2007/10/03)

The asymmetric synthesis of unnatural 13-hydroxy-(6Z,9Z,11E,13S)-octadecatrienoid and 15-hydroxy-(8Z,11Z,13E,15S)-eicosatrienoid is described using a biomimetic oxidation route. The main highlights of this synthesis are the asymmetric hydroxylation of the substrate with soybean lipoxygenase and cis selective Wittig olefination.

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