Structure Database (LMSD)

Common Name
N-(5,8,11,14-eicosatetraynoyl)-ethanolamine
Systematic Name
N-(5,8,11,14-eicosatetraynoyl)-ethanolamine
Synonyms
  • cis-5,8,11,14-eicosatetraynoyl ethanolamide
LM ID
LMFA08040014
Status
Active
Exact Mass
Calculate m/z
339.219829
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WIKCFYFHZDOIDT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)
SMILES (Click to copy)
C(CC#CCC#CCCCCC)#CCC#CCCCC(=O)NCCO

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Structural requirements for binding of anandamide-type compounds to the brain cannabinoid receptor.,
J Med Chem, 1997
Pubmed ID: 9057852

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 393.98
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.60
Molar Refractivity 104.02

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Updated at
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