Structure database (LMSD)

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LM IDLMFA08040026
Common NameN-(17,17-dimethyl-5Z,8Z,11Z,14Z-heneicosatetraenoyl)-ethanolamine
Systematic NameN-(17,17-dimethyl-5Z,8Z,11Z,14Z-heneicosatetraenoyl)-ethanolamine
Synonyms17,17-dimethyl-5,8,11,14-all-cis-heneicosanoylethanolamine
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 IDXPR7078
PubChem CID5283464
InChIKeySHINZUYKJSHICY-RYSLWBTDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H43NO2/c1-4-5-20-25(2,3)21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24(
28)26-22-23-27/h6-7,10-13,16,18,27H,4-5,8-9,14-15,17,19-23H2,1-3H3,(H,26,28)/b7-
6-,12-10-,13-11-,18-16-
SMILESC(/C/C=C\C/C=C\CC(C)(C)CCCC)=C/C/C=C\CCCC(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
456.44Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.84Molar
Refractivity
123.26