Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08020007
Common NameN-methyl arachidonoyl amine
Systematic NameN-methyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
SynonymsN-methyl arachidonoylamide
Exact Mass
317.2719 (neutral)    Calculate m/z:
FormulaC21H35NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDXPR7021
PubChem CID5283392
CAYMAN ID10007294
InChIKeyHTAWYBRCXMQDBL-ZKWNWVNESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-2/h
7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H,22,23)/b8-7-,11-10-,14-13-,1
7-16-
SMILESC(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
378.45Topological Polar
Surface Area
29.10Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.88Molar
Refractivity
102.47