Structure Database (LMSD)

Common Name
Behenylserotonin
Systematic Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-docosanamide
Synonyms
  • N-behenylserotonin
  • Scorodocarpine A
LM ID
LMFA08020351
Formula
C32H54N2O2
Exact Mass
Calculate m/z
498.418528
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
Liquid chromatographic analysis of N-.beta.)-alkanoyl-5-hydroxytryptamine (C-5-HT) in green coffee beans,
J Agric Food Chem, 1979
Scorodocarpus borneensis (#48514)
Magnoliopsida (#3398)
Sesquiterpenes and alkaloids from Scorodocarpus borneensis.,
Phytochemistry, 2001
Pubmed ID: 11576617

String Representations

InChiKey (Click to copy)
XNISEOLHGQOJHH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H54N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(36)33-25-24-28-27-34-31-23-22-29(35)26-30(28)31/h22-23,26-27,34-35H,2-21,24-25H2,1H3,(H,33,36)
SMILES (Click to copy)
C(NCCC1=CNC2=CC=C(O)C=C12)(=O)CCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
179356

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 2
Aromatic Rings 2
Rotatable Bonds 23
Van der Waals Molecular Volume 542.02
Topological Polar Surface Area 65.12
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 9.48
Molar Refractivity 155.11

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Created at
6th Sep 2021
Updated at
23rd Sep 2024