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(±) 5 (6) -EET

CAT: 0013-GTR19222593-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222593-01Size:25 µg
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Description
(±) 5 (6) -EET is a racemic epoxyeicosatrienoic acid that functions as a Cav3 T-type calcium channel inhibitor and a COX-1/COX-2 substrate. This small molecule is used in research to study calcium signaling, hormone secretion, and vascular tone in neuroendocrine cells and isolated arteries. It is supplied as a mixture of the free acid and δ-lactone forms.
CAS Number
87173-80-6
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
CCCCC\C=C/C\C=C/C\C=C/C[C@H]1O[C@H]1CCCC (O) =O
Molecular Formula
C20H32O3
Molecular Weight
320.473
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5S,6R-EpETrE

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

CAS Number87173-80-6
PubChem CID40490652
IUPAC Name4-[(2S,3R)-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+/m1/s1
InChIKey
VBQNSZQZRAGRIX-GSKBNKFLSA-N
Chemical Structure
2D Structure
2D structure of 5S,6R-EpETrE
CAS: 87173-80-6
CID: 40490652
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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