Structure Database (LMSD)
Common Name
(+/-)12-HpETE
Systematic Name
12-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060124
Formula
Exact Mass
Calculate m/z
336.230061
Sum Composition
Status
Curated
3D model of (+/-)12-HpETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
±)12-HpETE is one of the six monohydroperoxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid and consists of an equal mixture of the R and S isomers. Reduction of the hydroperoxide yields the more stable hydroxyl fatty acid (±)12-HETE. The biological activity of (±)12-HpETE has not been documented.
This information has been provided by Cayman Chemical
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
ZIOZYRSDNLNNNJ-VXBMJZGYSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C(OO)C/C=C\CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
376.52
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.14
Molar Refractivity
99.30
Admin
Created at
24th Apr 2025
Updated at
24th Apr 2025