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(±) 11 (12) -EET methyl ester

CAT: 0013-GTR19263739-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263739-01Size:10 mg
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Description
The compound (±) 11 (12) -EET methyl ester (11,12-EET methyl ester) is a type of epoxyeicosatrienoic acid (EET), an endogenous lipid signaling molecule known for its cardioprotective and vasodilatory properties. (±) 11 (12) -EET methyl ester can bind to and activate GPR132, and it enhances hematopoietic induction and transplantation capabilities in mice and zebrafish.
CAS Number
90693-45-1
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (/C=C\C/C=C\CCCC (OC) =O) [C@H]1[C@@H] (C/C=C\CCCCC) O1
Molecular Formula
C21H34O3
Molecular Weight
334.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+/-)11(12)-EET methyl ester
CAS Number90693-45-1
PubChem CID35025344
IUPAC Namemethyl (5Z,8Z)-10-[(2S,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate
Molecular FormulaC21H34O3
Molecular Weight334.5
XLogP5.7
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity409
SMILES
CCCCC/C=C\C[C@@H]1[C@@H](O1)C/C=C\C/C=C\CCCC(=O)OC
InChI
InChI=1S/C21H34O3/c1-3-4-5-6-10-13-16-19-20(24-19)17-14-11-8-7-9-12-15-18-21(22)23-2/h7,9-11,13-14,19-20H,3-6,8,12,15-18H2,1-2H3/b9-7-,13-10-,14-11-/t19-,20+/m1/s1
InChIKey
DHUPCTVGLDZJCY-AFRPMPIESA-N
Chemical Structure
2D Structure
2D structure of (+/-)11(12)-EET methyl ester
CAS: 90693-45-1
CID: 35025344
Formula: C21H34O3
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass334.25079494
Monoisotopic Mass334.25079494
Topological Polar Surface Area38.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity409
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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Alternative Products

CatalogName
T211343-01(±) 11 (12) -EET methyl ester
HY-139938S-01(±) 11 (12) -EET methyl ester-d11
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sc-221049A(±) 5,6-EET Methyl Ester
sc-220612A(±) 14 (15) -EET methyl ester
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HY-139937S-01(±) 14 (15) -EET-d11 methyl ester
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