Structure Database (LMSD)

Common Name
WE 20:3(11Z,14Z,17Z)/3:0(2Me)
Systematic Name
11Z,14Z,17Z-Eicosatrienyl isobutyrate
Synonyms
  • WE(20:3(11Z,14Z,17Z)/3:0(2Me))
LM ID
LMFA07010646
Formula
C24H42O2
Exact Mass
Calculate m/z
362.318481
Sum Composition
WE 24:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euproctis pulverea (#2249548)
Insecta (#50557)
Identification of novel sex pheromone components from a tussock moth, Euproctis pulverea,
Entomol Exp Appl, 2001

String Representations

InChiKey (Click to copy)
FRYDRWKXCKGLSO-AGRJPVHOSA-N
InChi (Click to copy)
InChI=1S/C24H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h5-6,8-9,11-12,23H,4,7,10,13-22H2,1-3H3/b6-5-,9-8-,12-11-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
187958
PubChem CID
56936024

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 430.78
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.84
Molar Refractivity 114.79

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Created at
-
Updated at
15th Jan 2025