Structure Database (LMSD)

Common Name
11E,13Z-Hexadecadienal
Systematic Name
11E,13Z-Hexadecadienal
Synonyms
LM ID
LMFA06000201
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
vIsolation, identification, and synthesis of a female sex pheromone of the navel orangeworm,Amyelois transitella(Lepidoptera: Pyralidae),
J Chem Ecol, 1979

String Representations

InChiKey (Click to copy)
ZTJGMVSDMQAJPE-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5+
SMILES (Click to copy)
C(CCCCCCCCC/C=C/C=C\CC)(=O)[H]

Other Databases

CHEBI ID
196166
PubChem CID
12125632

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.22
Molar Refractivity 76.19

Admin

Created at
-
Updated at
14th Jan 2025