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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040015
Common NameN-oleoyl ethanolamine
Systematic NameN-(9Z-octadecenoyl)-ethanolamine
SynonymsN-oleoyl ethanolamide; N-(cis-9-octadecenoyl) ethanolamine; N-(hydroxyethyl)
oleamide
Exact Mass
325.2981 (neutral)    Calculate m/z:
FormulaC20H39NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevNAE 18:1
PubChem CID5283454
HMDB IDHMDB0002088
CHEBI ID71466
SWISSLIPIDS IDSLM:000000147
CAYMAN ID90265
InChIKeyBOWVQLFMWHZBEF-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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SMILES
C(CCCCCCC/C=C\CCCCCCCC)(=O)NCCO
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
377.86Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.70Molar
Refractivity
100.53