Structure Database (LMSD)

Common Name
Anacyclin
Systematic Name
(2E,4E)-N-isobutyltetradeca-2,4-dien-8,10-diynamide
Synonyms
  • AC1NQY2W
  • C08396
  • (2E,4E)-N-(2-Methylpropyl)-2,4-tetradecadiene-8,10-diynamide
  • (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide
LM ID
LMFA08020165
Formula
C18H25NO
Exact Mass
Calculate m/z
271.193614
Sum Composition
NA 18:6
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacyclus pyrethrum (#159698)
Magnoliopsida (#3398)
Alkamides from Anacyclus pyrethrum L. and Their in Vitro Antiprotozoal Activity.,
Molecules, 2017
Pubmed ID: 28498323

String Representations

InChiKey (Click to copy)
CAZNLADLZFVEBY-SQIWNDBBSA-N
InChi (Click to copy)
InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-5,10-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
SMILES (Click to copy)
O=C(/C=C/C=C/CCC#CC#CCCC)NCC(C)C

Other Databases

KEGG ID
C08396
CHEBI ID
2698
PubChem CID
5281131

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 321.27
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.74
Molar Refractivity 86.31

Admin

Created at
-
Updated at
-