Structure Database (LMSD)

Common Name
5-Tetradecenal
Systematic Name
5-Tetradecenal
Synonyms
LM ID
LMFA06000190
Formula
C14H26O
Exact Mass
Calculate m/z
210.198365
Sum Composition
FAL 14:1
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
Drusilla canaliculata (#135868)
Insecta (#50557)
The chemistry of the defensive secretion of the beetle, Drusilla canaliculata,
J insect Physiol, 1973

String Representations

InChiKey (Click to copy)
HJCIVWWOKIXNOJ-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-10,14H,2-8,11-13H2,1H3/b10-9+
SMILES (Click to copy)
C(CCC/C=C/CCCCCCCC)(=O)[H]

Other Databases

CHEBI ID
179481
PubChem CID
6430165

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 254.27
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.66
Molar Refractivity 67.05

Admin

Created at
-
Updated at
6th Jan 2025