Structure Database (LMSD)

Common Name
2E,4Z,7-octatrienal
Systematic Name
2E,4Z,7-octatrienal
Synonyms
LM ID
LMFA06000272
Status
Active
Exact Mass
Calculate m/z
122.073165
Formula
C8H10O
Abbrev
FAL 8:3
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
VEIAVWGDUXTGOR-SCFJQAPRSA-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([H])(=O)/C=C/C=C\CC=C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Skeletonema marinoi (#267567)
Coscinodiscophyceae (#33836)
LOX-induced lipid peroxidation mechanism responsible for the detrimental effect of marine diatoms on zooplankton grazers.,
Chembiochem, 2007
Pubmed ID: 17886321

Other Databases

PubChem CID
92033462

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
19th May 2020
Updated at
19th May 2020