Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040045
Common NamePentadecanoyl-EA
Systematic NameN-(Pentadecanoyl)-ethanolamine
SynonymsPentadecanoyl-ethanolamine
Exact Mass
285.2668 (neutral)    Calculate m/z:
FormulaC17H35NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID14455157
SWISSLIPIDS IDSLM:000598190
CAYMAN ID9001740
InChIKeyUHPXXKLAACDXGS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16-19/h19H,2-16
H2,1H3,(H,18,20)
SMILESC(CCCCCCCCCCCCC)C(=O)NCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
328.60Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.76Molar
Refractivity
86.77