Structure Database (LMSD)
Common Name
23-methyl-5Z,9Z-tetracosadienoic acid
Systematic Name
23-methyl-5Z,9Z-tetracosadienoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 23-methyl-5Z,9Z-tetracosadienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IFDKMNCNGRJPIB-UNNWTIKVSA-N
InChi (Click to copy)
InChI=1S/C25H46O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h7,9,15,17,24H,3-6,8,10-14,16,18-23H2,1-2H3,(H,26,27)/b9-7-,17-15-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCCC(C)C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ircinia
(#275431)
Demospongiae
(#6042)
Comparative study of the fatty acid composition of sponges of the genus Ircinia. Identification of the new 23-methyl-5,9-tetracosadienoic acid.,
Comp Biochem Physiol B, 1991
Comp Biochem Physiol B, 1991
Pubmed ID:
1814678
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
450.72
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.47
Molar Refractivity
119.24
Admin
Created at
-
Updated at
19th May 2022