Structure Database (LMSD)

Common Name
Tricosanylserotonin
Systematic Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-tricosanamide
Synonyms
  • N-Tricosanylserotonin
LM ID
LMFA08020352
Formula
C33H56N2O2
Exact Mass
Calculate m/z
512.434178
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Adansonia digitata (#69109)
Magnoliopsida (#3398)
Acylserotonins - a new class of plant lipids with antioxidant activity and potential pharmacological applications.,
Biochim Biophys Acta Mol Cell Biol Lipids, 2021
Pubmed ID: 34450265
Coffea arabica (#13443)
Magnoliopsida (#3398)
A versatile method for the quantitative determination of bN-alkanoyl-5-hydroxytryptamides in roasted coffee,
Eur Food Res Technol, 2005

String Representations

InChiKey (Click to copy)
JOPFNTIKIIPNJS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H56N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(37)34-26-25-29-28-35-32-24-23-30(36)27-31(29)32/h23-24,27-28,35-36H,2-22,25-26H2,1H3,(H,34,37)
SMILES (Click to copy)
C(NCCC1=CNC2=CC=C(O)C=C12)(=O)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
71414023

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 2
Aromatic Rings 2
Rotatable Bonds 24
Van der Waals Molecular Volume 559.32
Topological Polar Surface Area 65.12
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 9.87
Molar Refractivity 159.73

Admin

Created at
6th Sep 2021
Updated at
6th Sep 2021