Structure Database (LMSD)

Common Name
SFE 2:0/16:2(11Z,13Z)
Systematic Name
Ethyl 11Z,13Z-hexadecadienoate
Synonyms
  • Ethyl (Z,Z)-11,13-hexadecadienoate
LM ID
LMFA07010564
Formula
C18H32O2
Exact Mass
Calculate m/z
280.240231
Sum Composition
SFE 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amyelois transitella (#680683)
Insecta (#50557)
Unusual pheromone chemistry in the navel orangeworm: novel sex attractants and a behavioral antagonist.,
Naturwissenschaften, 2005
Pubmed ID: 15668783

String Representations

InChiKey (Click to copy)
IBKYPQHBQFSHTB-ISTTXYCBSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h5-8H,3-4,9-17H2,1-2H3/b6-5-,8-7-
SMILES (Click to copy)
O=C(CCCCCCCCC/C=C\C=C/CC)OCC

Other Databases

CHEBI ID
196497
PubChem CID
11586285

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 87.25

Admin

Created at
-
Updated at
13th Feb 2025