Structure Database (LMSD)

Common Name
Heneicosanylserotonin
Systematic Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-heneicosanamide
Synonyms
  • N-Heneicosanylserotonin
LM ID
LMFA08020400
Formula
C31H52N2O2
Exact Mass
Calculate m/z
484.402878
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
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)
VWFBMXJXOGZRPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(35)32-24-23-27-26-33-30-22-21-28(34)25-29(27)30/h21-22,25-26,33-34H,2-20,23-24H2,1H3,(H,32,35)
SMILES (Click to copy)
C(=O)(NCCC1=CNC2=CC=C(O)C=C21)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
57920671

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 2
Aromatic Rings 2
Rotatable Bonds 22
Van der Waals Molecular Volume 524.72
Topological Polar Surface Area 65.12
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 9.09
Molar Refractivity 150.50

Admin

Created at
4th May 2022
Updated at
4th May 2022