Structure Database (LMSD)
Common Name
N-palmitoyl dopamine
Systematic Name
N-[2-(3,4-dihydroxyphenyl)ethyl]-9Z-hexadecenamide
Synonyms
LM ID
LMFA08020245
Formula
Exact Mass
Calculate m/z
389.292994
Sum Composition
Status
Active
3D model of N-palmitoyl dopamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Biosynthesis, degradation and pharmacological importance of the fatty acid amides. Emma K.Farrell and David J.Merkler. Drug Discovery Today. Volume 13, Issues 13–14, 2008, pp. 558-568. doi.org/10.1016/j.drudis.2008.02.006
https://www.sciencedirect.com/science/article/pii/S1359644608000482?via%3Dihub#bib118
https://www.sciencedirect.com/science/article/pii/S1359644608000482?via%3Dihub#bib118
String Representations
InChiKey (Click to copy)
IPUUEZXWDWREBJ-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)25-19-18-21-16-17-22(26)23(27)20-21/h7-8,16-17,20,26-27H,2-6,9-15,18-19H2,1H3,(H,25,28)/b8-7-
SMILES (Click to copy)
C(CCC/C=C\CCCCCC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
424.67
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
6.30
Molar Refractivity
117.19
Admin
Created at
30th Jul 2019
Updated at
30th Jul 2019