Structure Database (LMSD)

Common Name
Lignocerylserotonin
Systematic Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-tetracosanamide
Synonyms
  • N-lignocerylserotonin
LM ID
LMFA08020350
Formula
C34H58N2O2
Exact Mass
Calculate m/z
526.449828
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

String Representations

InChiKey (Click to copy)
QLZQXTNKCAWWES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H58N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(38)35-27-26-30-29-36-33-25-24-31(37)28-32(30)33/h24-25,28-29,36-37H,2-23,26-27H2,1H3,(H,35,38)
SMILES (Click to copy)
C(NCCC1=CNC2=CC=C(O)C=C12)(=O)CCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
179357

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 2
Aromatic Rings 2
Rotatable Bonds 25
Van der Waals Molecular Volume 576.62
Topological Polar Surface Area 65.12
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 10.26
Molar Refractivity 164.35

Admin

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