LIPID MAPS

Structure Database (LMSD)

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Common Name

Adipostatin F

Systematic Name

5-(12,13-dimethyl)tetradecylbenzene-1,3-diol

Synonyms

5-n-(12,13-dimethyl)tetradecylresorcinol

LM ID

LMPK15030047

Formula

C₂₂H₃₈O₂

Exact Mass

Calculate m/z

334.28718

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Streptomyces sp. 20733-1 (#1774111)

Actinomycetes (#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

String Representations

InChiKey (Click to copy)

NJJOOVPKRPTPEL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C22H38O2/c1-18(2)19(3)13-11-9-7-5-4-6-8-10-12-14-20-15-21(23)17-22(24)16-20/h15-19,23-24H,4-14H2,1-3H3

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCCC(C)C(C)C)C=C(O)C=1

Other Databases

PubChem CID

171119184

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 1

Rotatable Bonds 13

Van der Waals Molecular Volume 375.56

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 6.83

Molar Refractivity 103.65

Admin

Created at

28th Oct 2020

Updated at