Structure Database (LMSD)

Common Name
4E,8-Nonadienal
Systematic Name
4E,8-Nonadienal
Synonyms
LM ID
LMFA06000135
Formula
C9H14O
Exact Mass
Calculate m/z
138.104465
Sum Composition
FAL 9:2
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
Sphaerocoris annulus (#1277805)
Insecta (#50557)
C9 Aliphatic Aldehydes: Possible Sex Pheromone from Male Tropical West African Shield Bug, Sphaerocoris annulus,
Z Naturforsch C, 1986

String Representations

InChiKey (Click to copy)
ISNGFCODFAPWPE-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h2,5-6,9H,1,3-4,7-8H2/b6-5+
SMILES (Click to copy)
C(CC/C=C/CCC=C)(=O)[H]

Other Databases

PubChem CID
44256564

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 165.13
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.49
Molar Refractivity 43.87

Admin

Created at
-
Updated at
14th Jan 2025