Structure database (LMSD)

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LM IDLMFA08020084
Common NameN-arachidonoyl dopamine
Systematic NameN-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-dopamine
SynonymsNADA
Exact Mass
439.3086 (neutral)    Calculate m/z:
FormulaC28H41NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Carbocyclic fatty acids[FA0114]
PubChem CID5282105
CAYMAN ID90057
InChIKeyMVVPIAAVGAWJNQ-DOFZRALJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-
22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,
17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
SMILESC(NCCC1C=C(O)C(O)=CC=1)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings1Aromatic Rings1Rotatable Bonds17
 van der Waals
Molecular Volume
485.95Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP7.19Molar
Refractivity
135.38