LIPID MAPS

Structure Database (LMSD)

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Common Name

Adipostatin D

Systematic Name

5-(14-methyl)pentadecylbenzene-1,3-diol

Synonyms

5-n-(15-methyl)pentadecylresorcinol

LM ID

LMPK15030056

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)

CDHDDXXMZOUNLS-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C22H38O2/c1-19(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-16-21(23)18-22(24)17-20/h16-19,23-24H,3-15H2,1-2H3

SMILES (Click to copy)

C1(O)C=C(CCCCCCCCCCCCCC(C)C)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

117847594

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 1

Rotatable Bonds 14

Van der Waals Molecular Volume 375.56

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 6.98

Molar Refractivity 103.72

Admin

Created at

15th Dec 2020

Updated at