Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040049
Common NameMargaroyl-EA
Systematic NameN-(Heptadecanoyl)-ethanolamine
SynonymsMargaroyl-ethanolamine
Exact Mass
313.2981 (neutral)    Calculate m/z:
FormulaC19H39NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID14455158
SWISSLIPIDS IDSLM:000598191
CAYMAN ID90342
InChIKeyGCCFMSAXQJECNH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h21
H,2-18H2,1H3,(H,20,22)
SMILESC(CCCCCCCCCCCCCCC)C(=O)NCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
363.20Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.54Molar
Refractivity
96.00