Structure Database (LMSD)

OH O N H
Common Name
Stearoyl-EA
Systematic Name
N-(Octadecanoyl)-ethanolamine
Synonyms
  • Stearoyl-ethanolamine
LM ID
LMFA08040051
Formula
C20H41NO2
Exact Mass
Calculate m/z
327.313729
Sum Composition
NAE 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl ethanolamines (endocannabinoids) [FA0804]

String Representations

InChiKey (Click to copy)
OTGQIQQTPXJQRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC)C(=O)NCCO

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Inflammatory hyperalgesia induces essential bioactive lipid production in the spinal cord.,
J Neurochem, 2010
Pubmed ID: 20492349

Other Databases

HMDB ID
HMDB0013078
CHEBI ID
85299
PubChem CID
27902
SwissLipids ID
SLM:000390186
Cayman ID
90245
GuidePharm ID
3621

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 380.50
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.93
Molar Refractivity 100.62

Admin

Created at
-
Updated at
-