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11,12-EET

CAT: 0926-YEA93140Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-YEA93140Size:1 mg
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CAS Number
123931-40-8
MDL Number
MFCD00132914
Smiles
CCCCCC=CCC1C (O1) CC=CCC=CCCCC (=O) O
Molecular Formula
C20H32O3
Molecular Weight
320.5 g/mol
Controlled
No

Chemical Information

11,12-Eet

11,12-EET is an EET obtained by formal epoxidation of the 11,12-double bond of arachidonic acid. It has a role as a mouse metabolite and a xenobiotic metabolite. It is a conjugate acid of an 11,12-EET(1-).

CAS Number123931-40-8
PubChem CID5283204
IUPAC Name(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP5.4
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\CC1C(O1)C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-
InChIKey
DXOYQVHGIODESM-KROJNAHFSA-N
Chemical Structure
2D Structure
2D structure of 11,12-Eet
CAS: 123931-40-8
CID: 5283204
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP35.4
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 Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-130494-01(±) 11 (12) -EET
MBS5796836(+/-)11(12)-EET
36686511,12-EET
GTR19253653-0111,12-EET-CoA
sc-220580(±) 11 (12) -EET Ethanolamide
HY-130494S(±) 11 (12) -EET-d11
T211343-01(±) 11 (12) -EET methyl ester
HY-139938S-01(±) 11 (12) -EET methyl ester-d11
EK712911,12-EET/DHET ELISA Kit
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