Structure Database (LMSD)

Common Name
5S-hydroxy-4R-decanolide
Systematic Name
5S-hydroxy-4R-decanolide
Synonyms
  • (4R,5S)-5-hydroxy-4-decanolide
LM ID
LMFA07040023
Formula
C11H20O3
Exact Mass
Calculate m/z
200.141245
Sum Composition
FA 11:1;O
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]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nasonia vitripennis (#7425)
Insecta (#50557)
A male sex pheromone in a parasitic wasp and control of the behavioral response by the female's mating status.,
J Exp Biol, 2007
Pubmed ID: 17562890

String Representations

InChiKey (Click to copy)
BCVDPRNPUNARHZ-VHSXEESVSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1
SMILES (Click to copy)
C1CC(=O)O[C@H]1[C@@H](O)CCCCCC

Other Databases

CHEBI ID
180325
PubChem CID
15931712

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 210.23
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.60
Molar Refractivity 54.90

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Updated at
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