Structure database (LMSD)

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LM IDLMFA08040053
Common NameTricosanoyl-EA
Systematic NameN-(Tricosanoyl)-ethanolamine
SynonymsTricosanoyl-ethanolamine
Exact Mass
397.3920 (neutral)    Calculate m/z:
FormulaC25H51NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID14455160
CAYMAN ID9001743
InChIKeyWFRQXTUCHBFZII-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(
28)26-23-24-27/h27H,2-24H2,1H3,(H,26,28)
SMILESC(CCCCCCCCCCCCC(=O)NCCO)CCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
467.00Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.88Molar
Refractivity
123.71