Structure Database (LMSD)

Common Name
4E,7Z,10Z-Tridecatrienyl acetate
Systematic Name
4E,7Z,10Z-Tridecatrienyl acetate
Synonyms
LM ID
LMFA07010271
Formula
C15H24O2
Exact Mass
Calculate m/z
236.17763
Sum Composition
SFE 15:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phthorimaea operculella (#192464)
Insecta (#50557)
SEX PHEROMONE OF THE POTATO TUBERWORM MOTH, PHTHORIMAEA OPERCULELLA: ISOLATION, IDENTIFICATION AND FIELD EVALUATION,
Ent Exp Appl, 1976

String Representations

InChiKey (Click to copy)
WSXRBDKQLAZFRN-OZENSHFISA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4-,8-7-,11-10+
SMILES (Click to copy)
O(C(=O)C)CCC/C=C/C/C=C\C/C=C\CC

Other Databases

CHEBI ID
188049
PubChem CID
12811203

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 275.08
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.47
Molar Refractivity 73.30

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Created at
-
Updated at
6th Jun 2022