Structure Database (LMSD)

Common Name
N-(20-hydroxyarachidoyl)-5-hydroxytryptamine
Systematic Name
N-(20-hydroxy-eicosanoyl)-5-hydroxytryptamine
Synonyms
LM ID
LMFA08020398
Formula
C30H50N2O3
Exact Mass
Calculate m/z
486.382143
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
Coffea arabica (#13443)
Magnoliopsida (#3398)
New tryptamine derivatives isolated from wax of green coffee beans.,
J Agric Food Chem, 1980
Pubmed ID: 7462501

String Representations

InChiKey (Click to copy)
DFWMLDNCACBOKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H50N2O3/c33-23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-30(35)31-22-21-26-25-32-29-20-19-27(34)24-28(26)29/h19-20,24-25,32-34H,1-18,21-23H2,(H,31,35)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCO)(=O)NCCC1C2=CC(O)=CC=C2NC=1

Other Databases

PubChem CID
57920672

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 2
Aromatic Rings 2
Rotatable Bonds 22
Van der Waals Molecular Volume 516.21
Topological Polar Surface Area 85.35
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 7.96
Molar Refractivity 147.78

Admin

Created at
3rd May 2022
Updated at
3rd May 2022