Structure Database (LMSD)

Common Name
13Z-Octadecenal
Systematic Name
13Z-Octadecenal
Synonyms
LM ID
LMFA06000237
Formula
C18H34O
Exact Mass
Calculate m/z
266.260966
Sum Composition
FAL 18:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chilo suppressalis (#168631)
Insecta (#50557)
Identification of the female sex pheromones of the moth, Chilo suppressalis,
J Insect Physiol, 1975

String Representations

InChiKey (Click to copy)
QIRGIHPYVVKWTO-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCC)(=O)[H]

Other Databases

PubChem CID
5364497

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.22
Molar Refractivity 85.52

Admin

Created at
-
Updated at
14th Jan 2025