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5R (6S) -EET

CAT: 0013-GTR19241535-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241535-03Size:25 mg
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Description
5R (6S) -EET is a stereoselective arachidonic acid metabolite that stimulates endogenous PGE2 synthesis, leading to inhibited Na+ absorption, elevated intracellular Ca2+, and membrane depolarization. It is a valuable research tool for studying eicosanoid signaling, renal physiology, and vascular function in both in vitro and in vivo models.
CAS Number
98103-46-9
Field of Research
Immunology & Inflammation, Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CCC (O) =O) [C@@H]1[C@H] (C/C=C\C/C=C\C/C=C\CCCCC) O1
Molecular Formula
C20H32O3
Molecular Weight
320.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5R,6S-EpETrE

5R,6S-EpETrE is an epoxy fatty acid.

CAS Number98103-46-9
PubChem CID25320407
IUPAC Name4-[(2R,3S)-3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP5.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity396
SMILES
CCCCC/C=C\C/C=C\C/C=C\C[C@H]1[C@H](O1)CCCC(=O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18-,19+/m0/s1
InChIKey
VBQNSZQZRAGRIX-SWFISBABSA-N
Chemical Structure
2D Structure
2D structure of 5R,6S-EpETrE
CAS: 98103-46-9
CID: 25320407
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass320.23514488
Monoisotopic Mass320.23514488
Topological Polar Surface Area49.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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