LIPID MAPS

Structure Database (LMSD)

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Common Name

Adipostatin E

Systematic Name

5-(11-ethyl-12-methyl)tridecylbenzene-1,3-diol

Synonyms

5-n-(11-ethyl-12-methyl)tridecylresorcinol

LM ID

LMPK15030048

Formula

C₂₂H₃₈O₂

Exact Mass

Calculate m/z

334.28718

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PMQUBAACZVQVHT-UHFFFAOYSA-N

InChi (Click to copy)

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

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCC(CC)C(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

171119183

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