Structure Database (LMSD)

Common Name
2E,4E,7-octatrienal
Systematic Name
2E,4E,7-octatrienal
Synonyms
LM ID
LMFA06000275
Formula
C8H10O
Exact Mass
Calculate m/z
122.073165
Sum Composition
FAL 8:3
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)
VEIAVWGDUXTGOR-YTXTXJHMSA-N
InChi (Click to copy)
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2,4-8H,1,3H2/b5-4+,7-6+
SMILES (Click to copy)
C(/C=C/C=C/CC=C)(=O)[H]

Other Databases

PubChem CID
15612468

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 145.19
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.87
Molar Refractivity 39.16

Admin

Created at
20th May 2020
Updated at
20th May 2020