Structure Database (LMSD)

Common Name
Jobosic Acid
Systematic Name
2,5-Dimethyltetradecanoic Acid
Synonyms
LM ID
LMFA01020451
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
FA 16:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
uncultured Cyanophyceae cyanobacterium (#575422)
Cyanophyceae (#3028117)
Metabolomic Analysis and Antiviral Screening of a Marine Algae Library Yield Jobosic Acid (2,5-Dimethyltetradecanoic Acid) as a Selective Inhibitor of SARS-CoV-2.,
J Nat Prod, 2024
Pubmed ID: 38781491

String Representations

InChiKey (Click to copy)
ILOORJBAWCAGSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-14(2)12-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
SMILES (Click to copy)
C(C(C)CCC(C)CCCCCCCCC)(=O)O

Other Databases

PubChem CID
10220741
GuidePharm ID
13405

Calculated Physicochemical Properties

Heavy Atoms 18
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.26
Molar Refractivity 77.81

Admin

Created at
30th May 2024
Updated at
30th May 2024