Structure Database (LMSD)

Common Name
2E,4Z-Heptadienal
Systematic Name
2E,4Z-Heptadienal
Synonyms
LM ID
LMFA06000126
Formula
C7H10O
Exact Mass
Calculate m/z
110.073165
Sum Composition
FAL 7:2
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
Chrysomelidae (#27439)
Insecta (#50557)
The aggregation pheromone of Diorhabda elongata, a biological control agent of saltcedar (Tamarix spp.): identification of two behaviorally active components.,
J Chem Ecol, 2005
Pubmed ID: 15898507

String Representations

InChiKey (Click to copy)
SATICYYAWWYRAM-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3-,6-5+
SMILES (Click to copy)
C(/C=C/C=C\CC)(=O)[H]

Other Databases

HMDB ID
HMDB0061891
CHEBI ID
187148
PubChem CID
11788274

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 130.53
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.71
Molar Refractivity 34.63

Admin

Created at
-
Updated at
23rd Jan 2025