Structure Database (LMSD)

Common Name
gamma-undecalactone
Systematic Name
4-Undecanolide
Synonyms
  • 5-Heptyl-dihydrofuran-2(3H)-one
LM ID
LMFA07040030
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Sum Composition
FA 11:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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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
Phyllocnistis citrella (#199020)
Insecta (#50557)
Identification, synthesis, and field evaluation of the sex pheromone from the citrus leafminer, Phyllocnistis citrella.,
J Chem Ecol, 2006
Pubmed ID: 16525876

String Representations

InChiKey (Click to copy)
PHXATPHONSXBIL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
SMILES (Click to copy)
C(CCCCC)CC1CCC(=O)O1

Other Databases

HMDB ID
HMDB0038311
CHEBI ID
89362
PubChem CID
7714

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 201.44
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.34
Molar Refractivity 53.00

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Updated at
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