Structure Database (LMSD)
Common Name
28:2(5Z,9Z)
Systematic Name
5Z,9Z-octacosadienoic acid
Synonyms
3D model of 28:2(5Z,9Z)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cinachyrella kuekenthali
(#458489)
Demospongiae
(#6042)
Phospholipid fatty acids and sterols of two Cinachyrella sponges from the Saudi Arabian Red Sea: comparison with Cinachyrella species from other origins.,
Comp Biochem Physiol B Biochem Mol Biol, 2003
Comp Biochem Physiol B Biochem Mol Biol, 2003
Pubmed ID:
12798940
String Representations
InChiKey (Click to copy)
SQYBLVIRHDYEKI-HSRFISPZSA-N
InChi (Click to copy)
InChI=1S/C28H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h19-20,23-24H,2-18,21-22,25-27H2,1H3,(H,29,30)/b20-19-,24-23-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
24
Van der Waals Molecular Volume
502.62
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.79
Molar Refractivity
133.16
Admin
Created at
-
Updated at
6th Sep 2024