Structure Database (LMSD)

Common Name
2E,4E,6E,8E,10E,12E,14E,16E-octadecaoctaenal
Systematic Name
(2E,4E,6E,8E,10E,12E,14E,16E)-octadeca-2,4,6,8,10,12,14,16-octaenal
Synonyms
LM ID
LMFA06000270
Formula
C18H20O
Exact Mass
Calculate m/z
252.151415
Sum Composition
FAL 18:8
Status
Curated
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)
GSUNCNFQKZBVCL-NZOYRFRLSA-N
InChi (Click to copy)
InChI=1S/C18H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+
SMILES (Click to copy)
C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O

Other Databases

PubChem CID
101118435

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 304.99
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.65
Molar Refractivity 84.86

Admin

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