Structure Database (LMSD)

Common Name
(Z,Z,Z)-11,14,17-Eicosatrienyl 4-methylvalerate
Systematic Name
(Z,Z,Z)-11,14,17-Eicosatrienyl 4-methylvalerate
Synonyms
  • WE(20:3(11Z,14Z,17Z)/5:0(4Me))
LM ID
LMFA07010565
Formula
C26H46O2
Exact Mass
Calculate m/z
390.34978
Sum Composition
WE 26:3
Status
Active
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 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)
ACYOLBBKHJUMSO-AGRJPVHOSA-N
InChi (Click to copy)
InChI=1S/C26H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-26(27)23-22-25(2)3/h5-6,8-9,11-12,25H,4,7,10,13-24H2,1-3H3/b6-5-,9-8-,12-11-
SMILES (Click to copy)
O=C(CCC(C)C)OCCCCCCCCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
187175
PubChem CID
56935998

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 465.38
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.62
Molar Refractivity 124.02

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Created at
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Updated at
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