Structure Database (LMSD)

Common Name
SFE 5:0(1Et,2Me)/16:1(9Z)
Systematic Name
4-Methyl-3-heptyl 9Z-hexadecenoate
Synonyms
  • WE(5:0(1Et,2Me)/16:1(9Z))
  • 4-Methyl-3-heptyl palmitoleate
LM ID
LMFA07010659
Formula
C24H46O2
Exact Mass
Calculate m/z
366.349781
Sum Composition
WE 24:1
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]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Leptogenys diminuta (#411755)
Insecta (#50557)
Secretion of Venom and Dufour Glands in the Ant Leptogenys diminuta,
J Chem Ecol, 2000

String Representations

InChiKey (Click to copy)
SXBQGMISTDXSCC-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C24H46O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-23(7-3)22(4)20-6-2/h12-13,22-23H,5-11,14-21H2,1-4H3/b13-12-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OC(CC)C(C)CCC

Other Databases

PubChem CID
56936032

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 436.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.29
Molar Refractivity 114.97

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Created at
-
Updated at
8th Apr 2025