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
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