Structure Database (LMSD)

Common Name
2E,4Z,7Z-decatrienal
Systematic Name
2E,4Z,7Z-decatrienal
Synonyms
LM ID
LMFA06000273
Formula
C10H14O
Exact Mass
Calculate m/z
150.104465
Sum Composition
FAL 10:3
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

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)
KEXCNWISTVJVBV-OORNVTMFSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3-,7-6-,9-8+
SMILES (Click to copy)
C(/C=C/C=C\C/C=C\CC)(=O)[H]

Other Databases

HMDB ID
HMDB0033544
CHEBI ID
195904
PubChem CID
6442636

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 179.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.65
Molar Refractivity 48.39

Admin

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