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(±) 7 (8) -EpDTE

CAT: 0013-GTR19223257-02Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223257-02Size:50 µg
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Description
(±) 7 (8) -EpDTE is a cytochrome P450-derived oxylipin metabolite of docosapentaenoic acid (DPA) . This epoxide is a substrate for soluble epoxide hydrolase (sEH), yielding corresponding diols, and serves as a research tool for studying lipid mediator pathways in inflammation and vascular biology in experimental models.
CAS Number
1616607-36-3
Field of Research
Metabolism Research
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/CC1OC1CCCCCC (O) =O
Molecular Formula
C22H34O3
Molecular Weight
346.511
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2Z,5Z,8Z,11Z)-2,5,8,11-tetradecatetraen-1-yl-2-oxiranehexanoicacid
CAS Number1616607-36-3
PubChem CID156593957
IUPAC Name6-[(2S,3R)-3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]hexanoic acid
Molecular FormulaC22H34O3
Molecular Weight346.5
XLogP5.7
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count25
Formal Charge0
Complexity460
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1[C@@H](O1)CCCCCC(=O)O
InChI
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-21(25-20)18-15-13-16-19-22(23)24/h3-4,6-7,9-10,12,14,20-21H,2,5,8,11,13,15-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,14-12-/t20-,21+/m1/s1
InChIKey
BHODHHIOZSFCBJ-OWLXCJBYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2Z,5Z,8Z,11Z)-2,5,8,11-tetradecatetraen-1-yl-2-oxiranehexanoicacid
CAS: 1616607-36-3
CID: 156593957
Formula: C22H34O3
MW: 346.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass346.25079494
Monoisotopic Mass346.25079494
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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