Structure Database (LMSD)

Common Name
Adipostatin B
Systematic Name
5-(13-methyl)tetradecylbenzene-1,3-diol
Synonyms
  • 5-n-(13-methyl)tetradecylresorcinol
LM ID
LMPK15030049
Status
Active
Exact Mass
Calculate m/z
320.27153
Formula
C21H36O2
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)
AYZBMIJCGJIGNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O2/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(22)17-21(23)16-19/h15-18,22-23H,3-14H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCC(C)C)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces sp. (#1931)
Actinomycetia (#1760)
Adipostatins A-D from Streptomyces sp. 4875 inhibiting Brugia malayi asparaginyl-tRNA synthetase and killing adult Brugia malayi parasites.,
J Antibiot (Tokyo), 2015
Pubmed ID: 25735843

Other Databases

PubChem CID
132615

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 358.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.59
Molar Refractivity 99.10

Admin

Created at
28th Oct 2020
Updated at
28th Oct 2020