Structure Database (LMSD)
Common Name
N-arachidonoyl dopamine
Systematic Name
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-dopamine
Synonyms
- NADA
LM ID
LMFA08020084
Formula
Exact Mass
Calculate m/z
439.308644
Sum Composition
Status
Active
3D model of N-arachidonoyl dopamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
References
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
Admin
Created at
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Updated at
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