Structure Database (LMSD)

Common Name
Pentacosanylserotonin
Systematic Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-pentacosanamide
Synonyms
  • N-pentacosanylserotonin
LM ID
LMFA08020353
Formula
C35H60N2O2
Exact Mass
Calculate m/z
540.465478
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]

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

String Representations

InChiKey (Click to copy)
QVCGYWQXBCZOPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H60N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(39)36-28-27-31-30-37-34-26-25-32(38)29-33(31)34/h25-26,29-30,37-38H,2-24,27-28H2,1H3,(H,36,39)
SMILES (Click to copy)
C(NCCC1=CNC2=CC=C(O)C=C12)(=O)CCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
171120961

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 2
Aromatic Rings 2
Rotatable Bonds 26
Van der Waals Molecular Volume 593.92
Topological Polar Surface Area 65.12
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 10.65
Molar Refractivity 168.96

Admin

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