Structure Database (LMSD)

Common Name
4E,6Z-Hexadecadienal
Systematic Name
4E,6Z-Hexadecadienal
Synonyms
LM ID
LMFA06000202
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
Stathmopoda masinissa (#1511825)
Insecta (#50557)
Sex pheromone of the persimmon fruit moth, Stathmopoda masinissa: identification and laboratory bioassay of (4E, 6Z)-4,6-hexadecadien-1-ol derivatives.,
J Chem Ecol, 2003
Pubmed ID: 14682526

String Representations

InChiKey (Click to copy)
MOVXSJUPKNHSBK-JPYSRSMKSA-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/h10-13,16H,2-9,14-15H2,1H3/b11-10-,13-12+
SMILES (Click to copy)
C(CC/C=C/C=C\CCCCCCCCC)(=O)[H]

Other Databases

CHEBI ID
196167
PubChem CID
44256582

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

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Created at
-
Updated at
23rd Jan 2025