Structure Database (LMSD)

Common Name
C16:3(7Z,10Z,13Z)-solamine
Systematic Name
N,N-bis[3-(dimethylamino)butyl]hexadeca-7Z,10Z,13Z-trienamide
Synonyms
LM ID
LMFA08020457
Formula
C28H53N3O
Exact Mass
Calculate m/z
447.418862
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
Solanum bulbocastanum (#147425)
Magnoliopsida (#3398)
Characterization and Potential Role of Fatty Acid-Solamine Conjugates in Plant Defense against Herbivores and Pathogens in Wild Potato Species.,
J Agric Food Chem, 2025
Pubmed ID: 40413644

String Representations

InChiKey (Click to copy)
GLBMDJBDZBIYAN-JPFHKJGASA-N
InChi (Click to copy)
InChI=1S/C28H53N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(32)31(26-21-19-24-29(2)3)27-22-20-25-30(4)5/h7-8,10-11,13-14H,6,9,12,15-27H2,1-5H3/b8-7-,11-10-,14-13-
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\C/C=C\CC)(=O)N(CCCCN(C)C)CCCCN(C)C

Calculated Physicochemical Properties

Heavy Atoms 32
Rings
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 524.19
Topological Polar Surface Area 26.79
Hydrogen Bond Donors
Hydrogen Bond Acceptors 4
logP 7.45
Molar Refractivity 144.15

Admin

Created at
22nd Sep 2025
Updated at
22nd Sep 2025