Structure database (LMSD)

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LM IDLMFA08040039
Common Name20-HETE-EA
Systematic NameN-(20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Synonyms20-HETE-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 CID35027640
HMDB IDHMDB0013630
CAYMAN ID10008602
InChIKeyQRMZDMUHHZLRMH-DTLRTWKJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H37NO3/c24-20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(26)23-
19-21-25/h1,3-4,6-7,9-10,12,24-25H,2,5,8,11,13-21H2,(H,23,26)/b3-1-,6-4-,9-7-,12
-10-
SMILESC(NCCO)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
413.33Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP5.07Molar
Refractivity
111.38