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(+/-) 12-HpETE

CAT: 0013-GTR19232694-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232694-01Size:25 µg
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Description
This research-grade small molecule is (±) 12-HETE, a 12-lipoxygenase-derived eicosanoid with vasodilatory properties. It is widely used in studies of inflammation, vascular biology, and oxidative stress pathways, serving as a key mediator in both in vitro cell signaling assays and in vivo physiological models.
CAS Number
71030-35-8
Field of Research
Metabolism Research
Smiles
C (/C=C/C=C\C/C=C\CCCC (O) =O) (C/C=C\CCCCC) OO
Molecular Formula
C20H32O4
Molecular Weight
336.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

12-Hpete, (RS)-
CAS Number71030-35-8
PubChem CID5283175
IUPAC Name(5Z,8Z,10E,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid
Molecular FormulaC20H32O4
Molecular Weight336.5
XLogP5.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
CCCCC/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)OO
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+
InChIKey
ZIOZYRSDNLNNNJ-VXBMJZGYSA-N
Chemical Structure
2D Structure
2D structure of 12-Hpete, (RS)-
CAS: 71030-35-8
CID: 5283175
Formula: C20H32O4
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass336.23005950
Monoisotopic Mass336.23005950
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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