Structure Database (LMSD)

Common Name
4Z-Tridecenal
Systematic Name
4Z-Tridecenal
Synonyms
LM ID
LMFA06000170
Formula
C13H24O
Exact Mass
Calculate m/z
196.182715
Sum Composition
FAL 13:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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ⓘ 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.
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Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Macrocentrus cingulum (#535359)
Insecta (#50557)
(Z)-4-Tridecenal, a pheromonally active air oxidation product from a series of (Z,Z)-9,13 dienes inMacrocentrus grandii Goidanich (Hymenoptera: Braconidae).,
J Chem Ecol, 1992
Pubmed ID: 24254772

String Representations

InChiKey (Click to copy)
SMJHEMUFVYWLOU-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,13H,2-8,11-12H2,1H3/b10-9-
SMILES (Click to copy)
C(CC/C=C\CCCCCCCC)(=O)[H]

Other Databases

CHEBI ID
196461
PubChem CID
44256575

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 236.97
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.27
Molar Refractivity 62.43

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Created at
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Updated at
6th Jan 2025