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(2E) -4-Hydroperoxy-2-nonenal

CAT: 0804-HY-116722-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116722-01Size:1 mg
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Description
(2E) -4-Hydroperoxy-2-nonenal is a lipid peroxidation product derived from oxidized ω-6 polyunsaturated fatty acids, and can be used as a marker of oxidative stress[1].
CAS Number
7439-43-2
UNSPSC
12352211
Target
Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/2e-4-hydroperoxy-2-nonenal.html
Solubility
10 mM in DMSO
Smiles
CCCCCC(OO)/C=C/C=O
Molecular Formula
C9H16O3
Molecular Weight
172.22
References & Citations
[1]Rindgen D, et al. Formation of a substituted 1, N (6) -etheno-2'-deoxyadenosine adduct by lipid hydroperoxide-mediated generation of 4-oxo-2-nonenal. Chem Res Toxicol. 2000;13 (9) :846-852.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Hydroperoxy-2-nonenal

4-Hydroperoxy-2-nonenal is a monounsaturated fatty aldehyde.

CAS Number7439-43-2
PubChem CID6435432
IUPAC Name(E)-4-hydroperoxynon-2-enal
Molecular FormulaC9H16O3
Molecular Weight172.22
XLogP1.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
CCCCCC(/C=C/C=O)OO
InChI
InChI=1S/C9H16O3/c1-2-3-4-6-9(12-11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
InChIKey
TVNYLRYVAZWBEH-FNORWQNLSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroperoxy-2-nonenal
CAS: 7439-43-2
CID: 6435432
Formula: C9H16O3
MW: 172.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.22
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass172.109944368
Monoisotopic Mass172.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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