Structure Database (LMSD)

Common Name
9Z,11E,13-Tetradecatrienal
Systematic Name
9Z,11E,13-Tetradecatrienal
Synonyms
LM ID
LMFA06000182
Formula
C14H22O
Exact Mass
Calculate m/z
206.167065
Sum Composition
FAL 14:3
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]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ectomyelois ceratoniae (#1032508)
Insecta (#50557)
Isolation, identification and synthesis of sex pheromone components of the carob moth, ectomyelois ceratoniae,
Tetrahedron Letts, 1989

String Representations

InChiKey (Click to copy)
JABQZEDFZXKPOY-ICWBMWKASA-N
InChi (Click to copy)
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-6,14H,1,7-13H2/b4-3+,6-5-
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\C=C)(=O)[H]

Other Databases

CHEBI ID
137826
PubChem CID
14522041

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 248.99
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.21
Molar Refractivity 66.86

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Created at
-
Updated at
14th Jan 2025