Structure Database (LMSD)

Common Name
Margaroyl-EA
Systematic Name
N-(Heptadecanoyl)-ethanolamine
Synonyms
  • Margaroyl-ethanolamine
LM ID
LMFA08040049
Formula
C19H39NO2
Exact Mass
Calculate m/z
313.298079
Sum Composition
NAE 17:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

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

String Representations

InChiKey (Click to copy)
GCCFMSAXQJECNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h21H,2-18H2,1H3,(H,20,22)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC)C(=O)NCCO

Other Databases

CHEBI ID
165587
PubChem CID
14455158
SwissLipids ID
SLM:000598191
Cayman ID
90342

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 363.20
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.54
Molar Refractivity 96.00

Admin

Created at
-
Updated at
7th Feb 2024