Structure Database (LMSD)
Common Name
N-linolenoyl dopamine
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl) dopamine
Synonyms
- N-alpha-linolenoyl dopamine
LM ID
LMFA08020271
Formula
Exact Mass
Calculate m/z
413.292994
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of N-linolenoyl dopamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
WKASWGQDAKPOAS-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1
References
Reference
Acylamido analogs of endocannabinoids selectively inhibit cancer cell proliferation. Sumner Burstein and Rebecca Salmonsen. Bioorganic & Medicinal Chemistry. Volume 16, Issue 22, 15 November 2008, pp. 9644-9651.https://doi.org/10.1016/j.bmc.2008.10.015
https://www.sciencedirect.com/science/article/pii/S0968089608009541
https://www.sciencedirect.com/science/article/pii/S0968089608009541
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
453.99
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
6.63
Molar Refractivity
126.24
Admin
Created at
12th Aug 2019
Updated at
12th Aug 2019