Structure Database (LMSD)

Common Name
6E,11Z-Hexadecadienal
Systematic Name
6E,11Z-Hexadecadienal
Synonyms
LM ID
LMFA06000203
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
Status
Active
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
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)
UVAAPIIWFSOFFC-GWZUCBFCSA-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/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3/b6-5-,11-10+
SMILES (Click to copy)
C(CCCC/C=C/CCC/C=C\CCCC)(=O)[H]

Other Databases

CHEBI ID
196168
PubChem CID
10966519

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
4th Sep 2024