Structure Database (LMSD)

Common Name
5E,7Z-Dodecadienal
Systematic Name
5E,7Z-Dodecadienal
Synonyms
LM ID
LMFA06000157
Formula
C12H20O
Exact Mass
Calculate m/z
180.151415
Sum Composition
FAL 12:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malacosoma americanum (#7099)
Insecta (#50557)
The pheromone of the eastern tent caterpillar,Malacosoma americanum (F.) (lepidoptera, Lasiocampidae).,
J Chem Ecol, 1996
Pubmed ID: 24227301

String Representations

InChiKey (Click to copy)
LDQDYNHCLZNOFB-IGTJQSIKSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+
SMILES (Click to copy)
C(CCC/C=C/C=C\CCCC)(=O)[H]

Other Databases

PubChem CID
11401124

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 217.03
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.66
Molar Refractivity 57.72

Admin

Created at
-
Updated at
7th Jan 2025