Structure Database (LMSD)

Common Name
(E,E)-farnesyl propionate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl propionate
Synonyms
  • WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/3:0)
LM ID
LMFA07010541
Formula
C18H30O2
Exact Mass
Calculate m/z
278.224581
Sum Composition
SFE 18:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
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

String Representations

InChiKey (Click to copy)
XFACLYNWBJYMCK-IUBLYSDUSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-6-18(19)20-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
SMILES (Click to copy)
O=C(CC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
180162
PubChem CID
6431104

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.64
Molar Refractivity 87.15

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Created at
-
Updated at
13th Dec 2024