LIPID MAPS

Structure Database (LMSD)

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Common Name

Adipostatin C

Systematic Name

5-hexadecylbenzene-1,3-diol

Synonyms

5-n-hexadecylresorcinol

LM ID

LMPK15030055

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)

FYXJKENJKALVIL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(24)18-20/h17-19,23-24H,2-16H2,1H3

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCCCCCCC)C=C(O)C=1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Streptomyces sp. (#1931)

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

10782972

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 375.56

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 7.12

Molar Refractivity 103.79

Admin

Created at

15th Dec 2020

Updated at