Structure Database (LMSD)

Common Name
Erucicoyl-EA
Systematic Name
N-(13Z-docosanoyl)-ethanolamine
Synonyms
  • Erucicoyl-ethanolamine
LM ID
LMFA08040050
Formula
C24H47NO2
Exact Mass
Calculate m/z
381.360679
Sum Composition
NAE 22:1
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
UGYSMGXRWBTMRZ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
SMILES (Click to copy)
C(=C/CCCCCCCCCCCC(=O)NCCO)/CCCCCCCC

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

CHEBI ID
165584
PubChem CID
6436482
SwissLipids ID
SLM:000598181
Cayman ID
9001745

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 447.06
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.26
Molar Refractivity 119.00

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Created at
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Updated at
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