Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040040
Common Name15-HETE-EA
Systematic NameN-(15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-ethanolamine
Synonyms15HETE-ethanolamine
Exact Mass
363.2773 (neutral)    Calculate m/z:
FormulaC22H37NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID44256595
InChIKeyXZQKRCUYLKDPEK-USWFWKISSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-
19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,26)/b5-
4-,10-8-,11-9-,17-14+
SMILESC(NCCO)(=O)CCC/C=C\C/C=C\C/C=C\C=C\C(O)CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
413.33Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP5.07Molar
Refractivity
111.38