LIPID MAPS

Structure Database (LMSD)

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Common Name

Adipostatin G

Systematic Name

5-(15-methyl)hexadecylbenzene-1,3-diol

Synonyms

5-n-(15-methyl)hexadecylresorcinol

LM ID

LMPK15030044

Formula

C₂₃H₄₀O₂

Exact Mass

Calculate m/z

348.30283

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

UFTTXMPOCPMDFO-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C23H40O2/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-17-22(24)19-23(25)18-21/h17-20,24-25H,3-16H2,1-2H3

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCCCCCC(C)C)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

171119185

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 392.86

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 7.37

Molar Refractivity 108.33

Admin

Created at

27th Oct 2020

Updated at