Structure database (LMSD)

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LM IDLMFA08040018
Common NameN-(16,16-dimethy-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
Systematic NameN-(16,16-dimethy-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
Synonyms(16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl) ethanolamine
Exact Mass
403.3450 (neutral)    Calculate m/z:
FormulaC26H45NO2
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 IDXPR7056
PubChem CID5283457
InChIKeyOSHWPCDXHKYMLM-FARPMTRTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-
25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,
29)/b8-7-,13-11-,14-12-,22-19-
SMILESC(/C/C=C\C/C=C\C(C)(C)CCCCCC)=C/C/C=C\CCCC(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
473.74Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.23Molar
Refractivity
127.88