Structure database (LMSD)

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LM IDLMFA08020014
Common NameN-(3-methyl-butyl) arachidonoyl amine
Systematic NameN-(3-methyl-butyl)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
SynonymsN-(3-methyl-butyl)arachidonoylamide
Exact Mass
373.3345 (neutral)    Calculate m/z:
FormulaC25H43NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
LIPIDBANK IDXPR7028
PubChem CID5283399
InChIKeyHKYAUSBRNXNKIW-GKFVBPDJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)26-23
-22-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,26,27)/b9-8-
,12-11-,15-14-,18-17-
SMILESC(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NCCC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
447.65Topological Polar
Surface Area
29.10Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.58Molar
Refractivity
121.36