Structure Database (LMSD)
Systematic Name
22-methyl-5Z,9Z-tetracosadienoic acid
Synonyms
3D model of
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
unclassified Geodia
(#2684919)
Demospongiae
(#6042)
A new cytotoxic fatty acid (5Z,9Z)-22-methyl-5,9-tetracosadienoic acid and the sterols from the far eastern sponge Geodinella robusta.,
Lipids, 2002
Lipids, 2002
Pubmed ID:
11878316
String Representations
InChiKey (Click to copy)
BBFWKGYBBZILKC-UNNWTIKVSA-N
InChi (Click to copy)
InChI=1S/C25H46O2/c1-3-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(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\CCCCCCCCCCCC(C)CC)(=O)O
Other Databases
PubChem CID
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
19th May 2022
Updated at
19th May 2022