Structure Database (LMSD)

O O
Common Name
S-cucujolide V
Systematic Name
5Z,8Z-Tetradecadien-13S-olide
Synonyms
LM ID
LMFA07040049
Formula
C14H22O2
Exact Mass
Calculate m/z
222.16198
Sum Composition
FA 14:3
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]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
JSZKXZJGTWVDOI-FMASVTSHSA-N
InChi (Click to copy)
InChI=1S/C14H22O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h3-6,13H,2,7-12H2,1H3/b5-3-,6-4-/t13-/m0/s1
SMILES (Click to copy)
C1(O[C@@H](C)CCCC=CCC=CCCC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cryptolestes turcicus (#1173687)
Insecta (#50557)
Aggregation pheromones of the grain beetle,cryptolestes turcicus (Coleoptera: Cucujidae).,
J Chem Ecol, 1985
Pubmed ID: 24310331

Other Databases

CHEBI ID
180067
PubChem CID
56936049

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 248.06
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.06
Molar Refractivity 66.67

Admin

Created at
-
Updated at
1st Apr 2022