LIPID MAPS

Structure Database (LMSD)

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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

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

uncultured Gloeobacteria cyanobacterium (#575422)

Gloeobacteria (#307596)

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

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