Structure Database (LMSD)
Common Name
(5Z,8Z,11Z,13E)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid
Systematic Name
(5Z,8Z,11Z,13E)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid
Synonyms
- 15-HPETE
LM ID
LMFA03060102
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Curated
3D model of (5Z,8Z,11Z,13E)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
BFWYTORDSFIVKP-USWFWKISSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+
SMILES (Click to copy)
O(C(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
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
-
Updated at
23rd Jun 2020