Structure Database (LMSD)

Common Name
Parcoblattalactone
Systematic Name
3Z,10Z-dodecadienoic acid 1,12-lactone
Synonyms
  • 3Z,10Z-dodecadien-12-olide
LM ID
LMFA07040066
Formula
C12H18O2
Exact Mass
Calculate m/z
194.13068
Sum Composition
FA 12:3
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]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Parcoblatta lata (#152182)
Insecta (#50557)
Unusual macrocyclic lactone sex pheromone of Parcoblatta lata, a primary food source of the endangered red-cockaded woodpecker.,
Proc Natl Acad Sci U S A, 2012
Pubmed ID: 22184232

String Representations

InChiKey (Click to copy)
HMDULPMCUXCQQR-VRHVFUOLSA-N
InChi (Click to copy)
InChI=1S/C12H18O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h6-9H,1-5,10-11H2/b8-6-,9-7-
SMILES (Click to copy)
O=C1CC=CCCCCCC=CCO1

Other Databases

PubChem CID
73242182

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 213.46
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.28
Molar Refractivity 57.43

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