Structure database (LMSD)

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LM IDLMFA08040051
Common NameStearoyl-EA
Systematic NameN-(Octadecanoyl)-ethanolamine
SynonymsStearoyl-ethanolamine
Exact Mass
327.3137 (neutral)    Calculate m/z:
FormulaC20H41NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID27902
HMDB IDHMDB0013078
SWISSLIPIDS IDSLM:000390186
CAYMAN ID90245
InChIKeyOTGQIQQTPXJQRG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)
SMILESC(CCCCCCCCCCCCCCCC)C(=O)NCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
380.50Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.93Molar
Refractivity
100.62