Structure Database (LMSD)

O NH HN OH
Common Name
Cerotylserotonin
Systematic Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-hexacosanamide
Synonyms
  • N-cerotylserotonin
LM ID
LMFA08020354
Formula
C36H62N2O2
Exact Mass
Calculate m/z
554.481128
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
KUHUJFADJUAECD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H62N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(40)37-29-28-32-31-38-35-27-26-33(39)30-34(32)35/h26-27,30-31,38-39H,2-25,28-29H2,1H3,(H,37,40)
SMILES (Click to copy)
C(NCCC1=CNC2=CC=C(O)C=C12)(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

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

Other Databases

PubChem CID
171119591

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 2
Rotatable Bonds 27
Van der Waals Molecular Volume 611.22
Topological Polar Surface Area 65.12
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 11.04
Molar Refractivity 173.58

Admin

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