Structure Database (LMSD)
Common Name
13-hydroxy-linoleoyl-EA
Systematic Name
N-(13S-hydroxy-9Z,11E-octadecadienoyl)-ethanolamine
Synonyms
- NAE-13-HOD
- 13-NAE-HOD
- 13-hydroxy-linoleoyl-ethanolamine
LM ID
LMFA08040074
Formula
Exact Mass
Calculate m/z
339.277344
Sum Composition
Status
Active
3D model of 13-hydroxy-linoleoyl-EA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GBQSRUAXKWJYGA-RKMLUMNZSA-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+/t19-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\[C@@H](O)CCCCC)(=O)NCCO
References
Comments
Submitted by Omar Arias
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana
(#3702)
Magnoliopsida
(#3398)
Lipoxygenase-derived 9-hydro(pero)xides of linoleoylethanolamide interact with ABA signaling to arrest root development during Arabidopsis seedling establishment.,
Plant J, 2015
Plant J, 2015
Pubmed ID:
25752187
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
Aromatic Rings
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 Mar 2022
Updated at
7th Feb 2024