Structure Database (LMSD)

Common Name
4E,6E-nonenal
Systematic Name
4E,6E-nonenal
Synonyms
LM ID
LMFA06000277
Formula
C9H14O
Exact Mass
Calculate m/z
138.104465
Sum Composition
FAL 9:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thalassiosira rotula (#49265)
Coscinodiscophyceae (#33836)
Detection of short-chain aldehydes in marine organisms: the diatom Thalassiosira rotula,
Tetrahedron Letts, 2002

String Representations

InChiKey (Click to copy)
ULMBCDDTBIJTAS-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-6,9H,2,7-8H2,1H3/b4-3+,6-5+
SMILES (Click to copy)
C(CC/C=C/C=C/CC)(=O)[H]

Other Databases

PubChem CID
15870213

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
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
20th May 2020
Updated at
20th May 2020