Structure Database (LMSD)

Systematic Name
2E,4E-undecadien-8,10-diynoic acid pideridide
Synonyms
LM ID
LMFA08020367
Formula
C16H19NO
Exact Mass
Calculate m/z
241.146664
Sum Composition
NA 16:7
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
Achillea ptarmica (#133233)
Magnoliopsida (#3398)
Antiprotozoal activity of Achillea ptarmica (Asteraceae) and its main alkamide constituents.,
Molecules, 2014
Pubmed ID: 24853616

String Representations

InChiKey (Click to copy)
JGKXLHHRMGZICC-AWGJLQHSSA-N
InChi (Click to copy)
InChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10,13H,5-6,9,11-12,14-15H2/b8-7+,13-10+
SMILES (Click to copy)
C(/C=C/C=C/CCC#CC#C)(=O)N1CCCCC1

Other Databases

PubChem CID
101589680

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 274.31
Topological Polar Surface Area 20.31
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 3.10
Molar Refractivity 75.53

Admin

Created at
21st Oct 2021
Updated at
21st Oct 2021