Structure Database (LMSD)

Common Name
15R-Hexadecanolide
Systematic Name
15R-Hexadecanolide
Synonyms
LM ID
LMFA07040052
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Piezodorus hybneri (#1175637)
Insecta (#50557)
Male-Released Sex Pheromone of the Stink Bug Piezodorus hybneri,
J Chem Ecol, 1998

String Representations

InChiKey (Click to copy)
GILZFLFJYUGJLX-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m1/s1
SMILES (Click to copy)
C1(O[C@H](C)CCCCCCCCCCCCC1)=O

Other Databases

CHEBI ID
179822
PubChem CID
10978020

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 287.94
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.29
Molar Refractivity 76.09

Admin

Created at
-
Updated at
1st Apr 2022