Structure Database (LMSD)

Common Name
SFE 6:1(3Z)/4:0
Systematic Name
3Z-Hexenyl butanoate
Synonyms
  • WE(6:1(3Z)/4:0)
LM ID
LMFA07010593
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
SFE 10:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

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 Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lysimachia punctata (#213289)
Magnoliopsida (#3398)
Flower scent of floral oil-producing Lysimachia punctata as attractant for the oil-bee Macropis fulvipes.,
J Chem Ecol, 2007
Pubmed ID: 17151908

String Representations

InChiKey (Click to copy)
ZCHOPXVYTWUHDS-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
SMILES (Click to copy)
O=C(CCC)OCC/C=C\CC

Other Databases

HMDB ID
HMDB0033377
CHEBI ID
176779
PubChem CID
5352438

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

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Created at
-
Updated at
3rd Jun 2025