Structure Database (LMSD)

O O
Common Name
16-Hexadecanolide
Systematic Name
16-Hexadecanolide
Synonyms
LM ID
LMFA07040054
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
LOKPJYNMYCVCRM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
SMILES (Click to copy)
C1(OCCCCCCCCCCCCCCC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eldana saccharina (#236776)
Insecta (#50557)
Constituents of wing gland and abdominal hair pencil secretions of male African sugarcane borer,Eldana saccharina walker (Lepidoptera: Pyralidae).,
J Chem Ecol, 1993
Pubmed ID: 24248574

Other Databases

CHEBI ID
179821
PubChem CID
7984

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

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Created at
-
Updated at
1st Apr 2022