Structure Database (LMSD)

Common Name
(E,E)-farnesyl decanoate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate
Synonyms
  • WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/10:0)
LM ID
LMFA07010539
Formula
C25H44O2
Exact Mass
Calculate m/z
376.334131
Sum Composition
WE 25:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Agriotes infuscatus (#869170)
Insecta (#50557)
Identification of female-produced sex pheromones and their geographical differences in pheromone gland extract composition from click beetles (Col., Elateridae),
J Appl Entomol, 1996
Myocastor coypus (#10157)
Mammalia (#40674)
Characterization of (E,E)-farnesol and its fatty acid esters from anal scent glands of nutria (Myocastor coypus) by gas chromatography-mass spectrometry and gas chromatography-infrared spectrometry.,
J Chromatogr A, 2007
Pubmed ID: 17709112

String Representations

InChiKey (Click to copy)
ZSPZCKNQANJUIH-KSTRTYLUSA-N
InChi (Click to copy)
InChI=1S/C25H44O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,20H,6-14,16,18-19,21H2,1-5H3/b23-17+,24-20+
SMILES (Click to copy)
O=C(CCCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
187099
PubChem CID
56935986

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 448.08
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.37
Molar Refractivity 119.47

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Created at
-
Updated at
13th Dec 2024