Structure Database (LMSD)

Common Name
3-oxo-Tetradecanal
Systematic Name
3-oxo-Tetradecanal
Synonyms
LM ID
LMFA06000189
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
FAL 14:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
XLYLQUQHYUOPIW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13H,2-12H2,1H3
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCC)(=O)[H]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhinotermes hispidus (#280684)
Insecta (#50557)
A novel enolic β-ketoaldehyde in the defense secretion of the termite Rhinotermes hispidus,
Tetrahedron Letts, 1980

Other Databases

HMDB ID
HMDB0034561
CHEBI ID
179325
PubChem CID
14443308

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.07
Molar Refractivity 67.53

Admin

Created at
-
Updated at
4th Apr 2022