Structure Database (LMSD)

Common Name
12Z-Hexadecenal
Systematic Name
12Z-Hexadecenal
Synonyms
LM ID
LMFA06000212
Formula
C16H30O
Exact Mass
Calculate m/z
238.229666
Sum Composition
FAL 16:1
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
Plutella xylostella (#51655)
Insecta (#50557)
Electroantennogram Activities of Sex Pheromone Analogues and their Synergistic Effect on Field Attraction in the Diamondback Moth,
Appl Entomol, 1979

String Representations

InChiKey (Click to copy)
RYKIGMSSILTWCJ-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-5,16H,2-3,6-15H2,1H3/b5-4-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\CCC)(=O)[H]

Other Databases

CHEBI ID
179685
PubChem CID
6430176

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

Admin

Created at
-
Updated at
14th Jan 2025