Structure Database (LMSD)

Common Name
SFE 14:0/3:0(2Me)
Systematic Name
Tetradecyl isobutyrate
Synonyms
  • WE(14:0/3:0(2Me))
LM ID
LMFA07010679
Formula
C18H36O2
Exact Mass
Calculate m/z
284.271531
Sum Composition
WE 18:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Riptortus clavatus (#41704)
Insecta (#50557)
Interaction of aggregation pheromone components of the bean bug, Riptortus clavatus (Thunberg) (Heteroptera: Alydidae),
Appl Entomol Zool, 2005

String Representations

InChiKey (Click to copy)
CFSDKUROIWNCSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h17H,4-16H2,1-3H3
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCCCCCC

Other Databases

CHEBI ID
196212
PubChem CID
560579

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.17
Molar Refractivity 87.37

Admin

Created at
-
Updated at
13th Nov 2025