Structure Database (LMSD)

Common Name
SFE 16:1(9E)/2:0
Systematic Name
9E-Hexadecenyl acetate
Synonyms
LM ID
LMFA07010347
Formula
C18H34O2
Exact Mass
Calculate m/z
282.255881
Sum Composition
SFE 18:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Elasmopalpus lignosellus (#1511197)
Insecta (#50557)
Identification (GC and GC-MS) of unsaturated acetates in Elasmopalpus lignosellus and their biological activity (GC-EAD and EAG).,
J Sep Sci, 2005
Pubmed ID: 15776931

String Representations

InChiKey (Click to copy)
VAKBQCYSUVICLV-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h8-9H,3-7,10-17H2,1-2H3/b9-8+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C/CCCCCC

Other Databases

CHEBI ID
137771
PubChem CID
5352787

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
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Updated at
6th Jun 2025