Structure Database (LMSD)

Common Name
SFE 2:0/16:1(9E)
Systematic Name
Ethyl 9-hexadecenoate
Synonyms
  • WE(2:0/16:1(9E))
LM ID
LMFA07010633
Formula
C18H34O2
Exact Mass
Calculate m/z
282.255881
Sum Composition
SFE 18:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bombus lucorum (#30193)
Insecta (#50557)
Comparison of age-dependent quantitative changes in the male labial gland secretion of Bombus terrestris and Bombus lucorum.,
J Chem Ecol, 2009
Pubmed ID: 19543770

String Representations

InChiKey (Click to copy)
JELGPLUONQGOHF-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9+
SMILES (Click to copy)
O=C(CCCCCCC/C=C/CCCCCC)OCC

Other Databases

HMDB ID
HMDB0059871
PubChem CID
5364759

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.09
Molar Refractivity 87.34

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Created at
-
Updated at
8th Apr 2025