Structure Database (LMSD)

Common Name
SFE 16:2(6E,11Z)/2:0
Systematic Name
6E,11Z-Hexadecadienyl acetate
Synonyms
LM ID
LMFA07010358
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
SFE 18:2
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]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Antheraea pernyi (#7119)
Insecta (#50557)
Identification of Three Sex Pheromone Components of the Female Saturniid Moth Antheraea pernyi (Lepidoptera: Saturniidae),
Zeitschrift Naturforsch C, 1986

String Representations

InChiKey (Click to copy)
YABSIULMMGXUKC-BIXBEFAMSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,11-12H,3-5,8-10,13-17H2,1-2H3/b7-6-,12-11+
SMILES (Click to copy)
O(C(=O)C)CCCCC/C=C/CCC/C=C\CCCC

Other Databases

CHEBI ID
196510
PubChem CID
6440740

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 87.25

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Created at
-
Updated at
4th Sep 2024