Structure Database (LMSD)

Common Name
3E,13Z-Octadecadienal
Systematic Name
3E,13Z-Octadecadienal
Synonyms
LM ID
LMFA06000235
Formula
C18H32O
Exact Mass
Calculate m/z
264.245316
Sum Composition
FAL 18:2
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
Pennisetia marginata (#348699)
Insecta (#50557)
Identification of a sex pheromone component for Pennisetia marginata (Lepidoptera: Sesiidae),
Canad Entomol, 2012

String Representations

InChiKey (Click to copy)
FQIGBMCAZZSOQM-IYUNJCAYSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,18H,2-4,7-14,17H2,1H3/b6-5-,16-15+
SMILES (Click to copy)
C(C/C=C/CCCCCCCC/C=C\CCCC)(=O)[H]

Other Databases

PubChem CID
44256588

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 320.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.00
Molar Refractivity 85.42

Admin

Created at
-
Updated at
1st Jan 2025