Structure Database (LMSD)

Common Name
N-arachidonoyl dopamine
Systematic Name
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-dopamine
Synonyms
  • NADA
LM ID
LMFA08020084
Formula
C28H41NO3
Exact Mass
Calculate m/z
439.308644
Sum Composition
NA 28:8;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
MVVPIAAVGAWJNQ-DOFZRALJSA-N
InChi (Click to copy)
InChI=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-
SMILES (Click to copy)
C(NCCC1C=C(O)C(O)=CC=1)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

Other Databases

KEGG ID
C12271
CHEBI ID
31231
PubChem CID
5282105
Cayman ID
90057
GuidePharm ID
4261

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 485.95
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 7.19
Molar Refractivity 135.38

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Created at
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Updated at
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