LIPID MAPS

Structure Database (LMSD)

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Common Name

Adipostatin J

Systematic Name

5-eiscosylbenzene-1,3-diol

Synonyms

5-n-eicosylresorcinol

LM ID

LMPK15030046

Formula

C₂₆H₄₆O₂

Exact Mass

Calculate m/z

390.34978

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JCDQIGVVGKBORW-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(28)22-24/h21-23,27-28H,2-20H2,1H3

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Streptomyces sp. 20733-1 (#1774111)

Actinomycetia (#1760)

Adipostatins E-J, New Potent Antimicrobials Identified as Inhibitors of Coenzyme-A Biosynthesis.,
Tetrahedron Letts, 2020

Pubmed ID: 32863451

DOI: 10.1016/j.tetlet.2019.151469

Other Databases

PubChem CID

15775324

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 1

Aromatic Rings 1

Rotatable Bonds 19

Van der Waals Molecular Volume 444.76

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 8.68

Molar Refractivity 122.26

Admin

Created at

28th Oct 2020

Updated at