Structure Database (LMSD)
Common Name
16-HDHEA
Systematic Name
N-(16-hydroxy-4Z,7Z,10Z,13Z,17E,19Z-docosahexaenoyl)-ethanolamine
Synonyms
LM ID
LMFA08040073
Formula
Exact Mass
Calculate m/z
387.277344
Sum Composition
Status
Curated
3D model of 16-HDHEA
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
Mus musculus
(#10090)
Mammalia
(#40674)
Novel COX-2 products of n-3 polyunsaturated fatty acid-ethanolamine-conjugates identified in RAW264.7 macrophages.,
J Lipid Res, 2019
J Lipid Res, 2019
Pubmed ID:
31455615
DOI:
10.1194/jlr.M094235
String Representations
InChiKey (Click to copy)
SCIMCBMTKRVHDH-VUARBJEWSA-N
InChi (Click to copy)
InChI=1S/C24H37NO3/c1-2-3-4-15-18-23(27)19-16-13-11-9-7-5-6-8-10-12-14-17-20-24(28)25-21-22-26/h3-4,6-9,12-16,18,23,26-27H,2,5,10-11,17,19-22H2,1H3,(H,25,28)/b4-3-,8-6-,9-7-,14-12-,16-13-,18-15+
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\CC)(=O)NCCO
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
442.65
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.40
Molar Refractivity
120.43
Admin
Created at
18th Oct 2021
Updated at
18th Oct 2021