Structure Database (LMSD)

Common Name
2E,4Z-Decadienal
Systematic Name
2E,4Z-Decadienal
Synonyms
LM ID
LMFA06000146
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
Sum Composition
FAL 10:2
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
Eocanthecona furcellata (#696902)
Insecta (#50557)
Semiochemicals from the predatory stink bug Eocanthecona furcellata (Wolff): components of metathoracic gland, dorsal abdominal gland, and sternal gland secretions.,
J Chem Ecol, 2003
Pubmed ID: 14584678

String Representations

InChiKey (Click to copy)
JZQKTMZYLHNFPL-NMMTYZSQSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6-,9-8+
SMILES (Click to copy)
C(/C=C/C=C\CCCCC)(=O)[H]

Other Databases

HMDB ID
HMDB0036598
PubChem CID
6427087

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 182.43
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.88
Molar Refractivity 48.49

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Created at
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Updated at
6th Jan 2025