Structure Database (LMSD)

Systematic Name
N-(2-Methylbutyl)-2E-undecene-8,10-diynamide
Synonyms
LM ID
LMFA08020408
Formula
C16H23NO
Exact Mass
Calculate m/z
245.177964
Sum Composition
NA 16:5
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
Blainvillea acmella (#1205696)
Magnoliopsida (#3398)
Pungent Alkamides from Spilanthes acmella L. var. oleracea Clarke.,
Biosci Biotechnol Biochem, 1992
Pubmed ID: 27286203

String Representations

InChiKey (Click to copy)
GVXYCOGZGQWTFZ-OUKQBFOZSA-N
InChi (Click to copy)
InChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12+
SMILES (Click to copy)
C(/C=C/CCCCC#CC#C)(=O)NCC(C)CC

Other Databases

PubChem CID
14259836

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 289.31
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.19
Molar Refractivity 77.17

Admin

Created at
7th Nov 2022
Updated at
7th Nov 2022