Structure Database (LMSD)

Common Name
Adipostatin G
Systematic Name
5-(15-methyl)hexadecylbenzene-1,3-diol
Synonyms
  • 5-n-(15-methyl)hexadecylresorcinol
LM ID
LMPK15030044
Status
Active
Exact Mass
Calculate m/z
348.30283
Formula
C23H40O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

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

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

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Created at
27th Oct 2020
Updated at
27th Oct 2020