Structure Database (LMSD)

Common Name
SFE 16:3(11Z,13E,15)/2:0
Systematic Name
11Z,13E,15-Hexadecatrienyl acetate
Synonyms
  • SFE(16:3(11Z,13E,15)/2:0)
LM ID
LMFA07010370
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
SFE 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thaumetopoea processionea (#499230)
Insecta (#50557)
(Z,Z)-11,13-Hexadecadienyl acetate and (Z,E)-11,13,15-hexadecatrienyl acetate: synergistic sex pheromone components of oak processionary moth, Thaumetopoea processionea (Lepidoptera: Thaumetopoeidae),
Chemoecology, 2004

String Representations

InChiKey (Click to copy)
LSRIOUSPMIDHBL-DEQVHDEQSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-7H,1,8-17H2,2H3/b5-4+,7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\C=C\C=C

Other Databases

CHEBI ID
180165
PubChem CID
44256554

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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
7th Jul 2023