Structure Database (LMSD)

Common Name
2E,4E,6E,8E,10E,12E,14E,16E,18E,20E-docosadecaenal
Systematic Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-docosa-2,4,6,8,10,12,14,16,18,20-decaenal
Synonyms
LM ID
LMFA06000267
Formula
C22H24O
Exact Mass
Calculate m/z
304.182715
Sum Composition
FAL 22:10
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HDHFOIMRXSGDAN-UHLKCJAGSA-N
InChi (Click to copy)
InChI=1S/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+
SMILES (Click to copy)
C(=C/C=C/C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=O

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

Other Databases

PubChem CID
171118890

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 368.91
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.77
Molar Refractivity 103.14

Admin

Created at
28th Jun 2019
Updated at
1st Jul 2019