Structure Database (LMSD)

Common Name
11Z,13E-Hexadecadienal
Systematic Name
11Z,13E-Hexadecadienal
Synonyms
LM ID
LMFA06000219
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
Notodonta torva (#988001)
Insecta (#50557)
(11Z,13Z)-11,13-hexadecadienal, the sex pheromone of females ofNotodonta dromedarius,
Naturwissenschaften, 1993

String Representations

InChiKey (Click to copy)
ZTJGMVSDMQAJPE-ICWBMWKASA-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
196163
PubChem CID
13194927

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
7th Jan 2025