Structure Database (LMSD)

Common Name
7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate
Systematic Name
7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate
Synonyms
  • WE(22:4(7Z,13Z,16Z,19Z)(1OH)/3:0(2Me))
LM ID
LMFA07010647
Formula
C26H44O2
Exact Mass
Calculate m/z
388.33413
Sum Composition
WE 26:4
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
Euproctis chrysorrhoea (#987934)
Insecta (#50557)
Identification of sex pheromone of browntail moth,Euproctis chrysorrhoea (L.) (Lepidoptera: Lymantriidae).,
J Chem Ecol, 1991
Pubmed ID: 24259074

String Representations

InChiKey (Click to copy)
IHFUWVNHVLVCKZ-LYBCEPMBSA-N
InChi (Click to copy)
InChI=1S/C26H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h5-6,8-9,11-12,17-18,25H,4,7,10,13-16,19-24H2,1-3H3/b6-5-,9-8-,12-11-,18-17-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
188003
PubChem CID
15096494

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 462.74
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.40
Molar Refractivity 123.93

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Created at
-
Updated at
5th Apr 2022