Structure Database (LMSD)

Common Name
WE 12:1(5Z)/12:1(5Z)
Systematic Name
(Z)-5-Dodecenyl (Z)-5-dodecenoate
Synonyms
  • WE(12:1(5Z)/12:1(5Z))
LM ID
LMFA07010534
Formula
C24H44O2
Exact Mass
Calculate m/z
364.334131
Sum Composition
WE 24:2
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]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gastropacha quercifolia (#1502188)
Insecta (#50557)
Chemical structure and final steps of biosynthesis of the female sex pheromone of Gastropacha quercifolia (Lepidoptera: Lasiocampidae),
Insec Biochem Mol Biol, 1993

String Representations

InChiKey (Click to copy)
QDYCXCCNDHIUHQ-VMNXYWKNSA-N
InChi (Click to copy)
InChI=1S/C24H44O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-23H2,1-2H3/b15-13-,16-14-
SMILES (Click to copy)
O=C(CCC/C=C\CCCCCC)OCCCC/C=C\CCCCCC

Other Databases

PubChem CID
56935982

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 433.42
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.21
Molar Refractivity 114.95

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Created at
-
Updated at
22nd Jan 2025