Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040027
Common NameN-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
Systematic NameN-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
Synonyms17-methyl-5,8,11,14-all-cis-docosatetraenoylethanolamine
Exact Mass
389.3294 (neutral)    Calculate m/z:
FormulaC25H43NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR7079
PubChem CID5283465
InChIKeyJBTMRPVMELNRLS-WGTJKWGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(
28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26
,28)/b7-5-,10-8-,13-11-,17-14-
SMILESC(/C/C=C\C/C=C\CC(C)CCCCC)=C/C/C=C\CCCC(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
456.44Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.84Molar
Refractivity
123.26