Structure Database (LMSD)
Common Name
13-HODE-EA
Systematic Name
N-(13-hydroxy-9Z,11E-octadecadienoyl)-ethanolamine
Synonyms
LM ID
LMFA08040071
Formula
Exact Mass
Calculate m/z
339.277344
Sum Composition
Status
Active
3D model of 13-HODE-EA
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
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Synthesis and molecular targets of N-13-hydroxy-octadienoyl-ethanolamine, a novel endogenous bioactive 15-lipoxygenase-derived metabolite of N-linoleoyl-ethanolamine found in the skin and saliva.,
Biochim Biophys Acta Mol Cell Biol Lipids, 2021
Biochim Biophys Acta Mol Cell Biol Lipids, 2021
Pubmed ID:
33915294
String Representations
InChiKey (Click to copy)
GBQSRUAXKWJYGA-BSZOFBHHSA-N
InChi (Click to copy)
InChI=1S/C20H37NO3/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21-17-18-22/h7,9,12,15,19,22-23H,2-6,8,10-11,13-14,16-18H2,1H3,(H,21,24)/b9-7-,15-12+
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\C(O)CCCCC)(=O)NCCO
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
384.01
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.74
Molar Refractivity
102.34
Admin
Created at
9th May 2021
Updated at
9th May 2021