Structure Database (LMSD)

Common Name
WE 17:1(9Z)(16Me)/3:0(2Me)
Systematic Name
16-Methyl-9Z-heptadecenyl isobutyrate
Synonyms
  • WE(17:1(9Z)(16Me)/3:0(2Me))
LM ID
LMFA07010640
Formula
C22H42O2
Exact Mass
Calculate m/z
338.318481
Sum Composition
SFE 22:1
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]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euproctis (#319798)
Insecta (#50557)
Identification of sex attractant pheromone components of the tussock moth,Euproctis taiwana (Shiraki) (Lepidoptera: Lymantriidae).,
J Chem Ecol, 1995
Pubmed ID: 24233831

String Representations

InChiKey (Click to copy)
ULNXKSFWDNHBAD-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-22(23)21(3)4/h6,8,20-21H,5,7,9-19H2,1-4H3/b8-6-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCC/C=C\CCCCCC(C)C

Other Databases

CHEBI ID
180026
PubChem CID
56936019

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.36
Molar Refractivity 105.67

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Created at
-
Updated at
20th Jan 2025