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(±) 5-HETE methyl ester

CAT: 0013-GTR19232729-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232729-01Size:25 µg
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Description
(±) 5-HETE methyl ester is a non-enzymatic oxidation product of arachidonic acid, used as a standard in lipidomics research. It serves as a key reference in studies investigating oxidative stress, inflammation, and lipid peroxidation pathways in both cellular and animal models.
CAS Number
70968-99-9
Smiles
C (CCCC (OC) =O) (/C=C/C=C\C/C=C\C/C=C\CCCCC) O
Molecular Formula
C21H34O3
Molecular Weight
334.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 5-hydroxyicosa-6,8,11,14-tetraenoate
CAS Number70968-99-9
PubChem CID54289442
IUPAC Namemethyl 5-hydroxyicosa-6,8,11,14-tetraenoate
Molecular FormulaC21H34O3
Molecular Weight334.5
XLogP5.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity405
SMILES
CCCCCC=CCC=CCC=CC=CC(CCCC(=O)OC)O
InChI
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24-2/h7-8,10-11,13-15,17,20,22H,3-6,9,12,16,18-19H2,1-2H3
InChIKey
RWLSHOXCJVZJMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-hydroxyicosa-6,8,11,14-tetraenoate
CAS: 70968-99-9
CID: 54289442
Formula: C21H34O3
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass334.25079494
Monoisotopic Mass334.25079494
Topological Polar Surface Area46.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count4
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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