Structure Database (LMSD)
Common Name
16Z-Insignoic acid B
Systematic Name
4-oxotetracosa-2E,5E,16Z-trienoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 16Z-Insignoic acid B
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)
MGQAOHFNKLODEG-FVRWELPDSA-N
InChi (Click to copy)
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)21-22-24(26)27/h8-9,19-22H,2-7,10-18H2,1H3,(H,26,27)/b9-8-,20-19+,22-21+
SMILES (Click to copy)
C(/C=C/C(=O)/C=C/CCCCCCCCC/C=C\CCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Endiandra
(#128617)
Magnoliopsida
(#3398)
Insignoic acids A - E, unusual α, β-unsaturated keto fatty acids isolated from the exocarp of Australian rainforest tree Endiandra insignis (Lauraceae).,
Fitoterapia, 2023
Fitoterapia, 2023
Pubmed ID:
38168569
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
Aromatic Rings
Rotatable Bonds
19
Van der Waals Molecular Volume
436.93
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
7.18
Molar Refractivity
114.99
Admin
Created at
11th Jan 2024
Updated at
11th Jan 2024