Structure Database (LMSD)

Common Name
4-Methyl-3-heptyl linoleate
Systematic Name
4-Methyl-3-heptyl 9Z,12Z-octadecadienoate
Synonyms
  • WE(5:0(1Et,2Me)/18:2(9Z,12Z))
LM ID
LMFA07010656
Formula
C26H48O2
Exact Mass
Calculate m/z
392.365431
Sum Composition
WE 26:2
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)
MYBYIJWCTLITRC-HDXUUTQWSA-N
InChi (Click to copy)
InChI=1S/C26H48O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-25(7-3)24(4)22-6-2/h11-12,14-15,24-25H,5-10,13,16-23H2,1-4H3/b12-11-,15-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC(CC)C(C)CCC

Other Databases

PubChem CID
56936029

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 468.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.84
Molar Refractivity 124.11

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Created at
-
Updated at
21st Jan 2025