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(±) 11 (12) -EpETE

CAT: 0804-HY-165078-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-165078-01Size:25 µg
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Description
(±) 11 (12) -EpETE ((±) 11,12-EEQ) is an EPA hydroxyl product. EPA is a major component of Omega-3 polyunsaturated fatty acids (PUFAs) [1].
CAS Number
504435-15-8
Product Name Alternative
(±) 11,12-EEQ; (±) 11,12-Epoxyeicosatetraenoic acid
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/racemic-11-12-epete.html
Smiles
OC(CCC/C=C\C/C=C\CC1C(O1)C/C=C\C/C=C\CC)=O
Molecular Formula
C20H30O3
Molecular Weight
318.45
References & Citations
[1]Zhang X, et al. Systematic metabolomic analysis of eicosanoids after omega-3 polyunsaturated fatty acid supplementation by a highly specific liquid chromatography-tandem mass spectrometry-based method. J Proteome Res. 2015 Apr 3;14 (4) :1843-53.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

11(12)-EpETE

(5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid is an EpETE obtained by formal epoxidation of the 11,12-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. It is functionally related to an all-cis-5,8,11,14,17-icosapentaenoic acid. It is a conjugate acid of a (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate.

CAS Number504435-15-8
PubChem CID16061087
IUPAC Name(5Z,8Z)-10-[3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP4.7
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count23
Formal Charge0
Complexity432
SMILES
CC/C=C\C/C=C\CC1C(O1)C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h3-4,6,8-10,12-13,18-19H,2,5,7,11,14-17H2,1H3,(H,21,22)/b4-3-,8-6-,12-9-,13-10-
InChIKey
QHOKDYBJJBDJGY-BVILWSOJSA-N
Chemical Structure
2D Structure
2D structure of 11(12)-EpETE
CAS: 504435-15-8
CID: 16061087
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area49.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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