Structure Database (LMSD)

Common Name
2E,4E,6E,8E,10E,12E,14E,16E,18E-eicosanonaenal
Systematic Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-eicosa-2,4,6,8,10,12,14,16,18-nonaenal
Synonyms
LM ID
LMFA06000266
Formula
C20H22O
Exact Mass
Calculate m/z
278.167065
Sum Composition
FAL 20:9
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
Octocorallia (#6132)
Anthozoa (#6101)
New Strategies for Identifying Natural Products of Ecological Significance from Corals: Nondestructive Raman Spectroscopy Analysis,
Studies in Natural Products Chemistry, 2014

String Representations

InChiKey (Click to copy)
ASPHZFNJNFDRCT-HRUYHGMMSA-N
InChi (Click to copy)
InChI=1S/C20H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+
SMILES (Click to copy)
C(=C/C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=O

Other Databases

CHEBI ID
186447
PubChem CID
101118436

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 336.95
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.21
Molar Refractivity 94.00

Admin

Created at
27th Jun 2019
Updated at
27th Jun 2019