Structure Database (LMSD)

Common Name
7Z,11Z-Hexadecadienal
Systematic Name
7Z,11Z-Hexadecadienal
Synonyms
LM ID
LMFA06000224
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
Phyllocnistis citrella (#199020)
Insecta (#50557)
Identification of the Sex Pheromone of the Citrus Leafminer (Phyllocnistis citrella Stainton, Lepidoptera: Gracillariidae) with a Trial of Control by the Communication Disruption Method,
J Pest Sci, 2005

String Representations

InChiKey (Click to copy)
PNIJIQLUXSITRW-WBHJMADESA-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/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3/b6-5-,10-9-
SMILES (Click to copy)
C(CCCCC/C=C\CC/C=C\CCCC)(=O)[H]

Other Databases

CHEBI ID
196161
PubChem CID
13532956

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
7th Jan 2025