Structure Database (LMSD)

O O
Common Name
SFE 13:1(2E)/2:0
Systematic Name
2-Tridecenyl acetate
Synonyms
  • SFE(13:1(2E)/2:0)
LM ID
LMFA07010281
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
SFE 15:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
UEGGJCHDRZTQMF-OUKQBFOZSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h12-13H,3-11,14H2,1-2H3/b13-12+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCCCCCCCC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Polistes (#7456)
Insecta (#50557)
Volatiles from the venom of five species of paper wasps (Polistes dominulus, P. gallicus, P. nimphus, P. sulcifer and P. olivaceus).,
Toxicon, 2006
Pubmed ID: 16698055

Other Databases

PubChem CID
6437544

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 280.36
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.92
Molar Refractivity 73.49

Admin

Created at
-
Updated at
15th Aug 2023