12-OxoETE - 100 ug/mL in ethanol，≥90% , CAS No.108437-64-5

CAS: 108437-64-5 Cat. No.: O348448 Molecular Weight: 318.5 PubChem CID: 5283162

GRADE & PURITY 100 ug/mL in ethanol，≥90%

Synonyms

12-keto-ETE | DTXSID00390599 | SCHEMBL21114414 | PD018254 | 12-oxo, 5c,8c,10t,14c-20:4 | 12-oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid | 12-KETE | (5Z,8Z,10E,14Z)-12-Oxoeicosa-5,8,10,14-tetraenoate | SR-01000946927-1 | SR-01000946927 | 5,8,10,14-Eicosatetrae

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

12-OxoETE is synthesized by human platelets and|Aplysia|nervous tissue after incubation with arachidonic acid. Microsomal fractions of various tissues will reduce 12-oxoETE to 12(S)-HETE or a mixture of 12(S)- and 12(R)-HETE. 12-OxoETE induces a rapid, dose dependent increase of cytoplasmic free calcium via an Leukotriene B4 receptor or a common activation sequence.

Specifications

Synonyms

12-keto-ETE | DTXSID00390599 | SCHEMBL21114414 | PD018254 | 12-oxo, 5c, 8c, 10t, 14c-20:4 | 12-oxo-5Z, 8Z, 10E, 14Z-eicosatetraenoic acid | 12-KETE | (5Z, 8Z, 10E, 14Z)-12-Oxoeicosa-5, 8, 10, 14-tetraenoate | SR-01000946927-1 | SR-01000946927 | 5, 8, 10, 14-Eicosatetrae

Specifications & Purity

100 ug/mL in ethanol，≥90%

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC(=O)C=CC=CCC=CCCCC(=O)O
• IUPAC Name: (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoic acid
• InChIKey: GURBRQGDZZKITB-VXBMJZGYSA-N
• INCHI: 1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
• Isomeric SMILES: CCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)O
• PubChem CID: 5283162
• Molecular Weight: 318.5

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: Long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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: Hydroxy/hydroperoxyeicosatetraenoic 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

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

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (0.8 mg/ml at 25° C), ethanol, DMSO, DMF, and PBS pH 7.2, sol. (~0.8).
• Refractive Index: n20D1.51 (Predicted)
• Boil Point(°C): 78° C
• Molecular Weight: 318.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 318.219 Da
• Monoisotopic Mass: 318.219 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1