Structure database (LMSD)

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LM IDLMFA08040031
Common Name14,15-DiHETrE-EA
Systematic NameN-((+/-)-14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoyl)-ethanolamine
Synonyms-
Exact Mass
381.2879 (neutral)    Calculate m/z:
FormulaC22H39NO4
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID16061180
InChIKeyZHCWBIFELSAWPF-ILYOTBPNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H39NO4/c1-2-3-12-15-20(25)21(26)16-13-10-8-6-4-5-7-9-11-14-17-22(27)
23-18-19-24/h4,6-7,9-10,13,20-21,24-26H,2-3,5,8,11-12,14-19H2,1H3,(H,23,27)/b6-4
-,9-7-,13-10-
SMILESC(CCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCCC)(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
424.76Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP4.55Molar
Refractivity
113.38