Structure Database (LMSD)

Common Name
SFE 14:1(9Z)/2:0
Systematic Name
9Z-Tetradecenyl acetate
Synonyms
  • SFE(14:1(9Z)/2:0)
LM ID
LMFA07010316
Formula
C16H30O2
Exact Mass
Calculate m/z
254.224581
Sum Composition
SFE 16:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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
Chilo auricilius (#236789)
Insecta (#50557)
The female sex pheromone of sugarcane stalk borer,Chilo auricilius identification of four components and field tests.,
J Chem Ecol, 1986
Pubmed ID: 24307117
Mastophora cornigera (#2508587)
Arachnida (#6854)
Chemical mimicry: bolas spiders emit components of moth prey species sex pheromones.,
Science, 1987
Pubmed ID: 17812752

String Representations

InChiKey (Click to copy)
XXPBOEBNDHAAQH-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3/b7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C\CCCC

Other Databases

CHEBI ID
179803
PubChem CID
5364714

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.31
Molar Refractivity 78.11

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Created at
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Updated at
11th Aug 2023