Structure Database (LMSD)

Common Name
15Z-Insignoic acid A
Systematic Name
6-hydroxy-4-oxotetracosa-2E,15Z-dienoic acid
Synonyms
LM ID
LMFA01060242
Formula
C24H42O4
Exact Mass
Calculate m/z
394.30831
Sum Composition
FA 24:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

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
Pubmed ID: 38168569

String Representations

InChiKey (Click to copy)
NXXIZCVLSTUGMM-MOGVLALCSA-N
InChi (Click to copy)
InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)21-23(26)19-20-24(27)28/h9-10,19-20,22,25H,2-8,11-18,21H2,1H3,(H,27,28)/b10-9-,20-19+
SMILES (Click to copy)
C(/C=C/C(=O)CC(O)CCCCCCCC/C=C\CCCCCCCC)(=O)O

Other Databases

PubChem CID
171117704

Calculated Physicochemical Properties

Heavy Atoms 28
Rings
Aromatic Rings
Rotatable Bonds 20
Van der Waals Molecular Volume 448.36
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.66
Molar Refractivity 116.99

Admin

Created at
11th Jan 2024
Updated at
11th Jan 2024