Structure Database (LMSD)

Common Name
Adipostatin J
Systematic Name
5-eiscosylbenzene-1,3-diol
Synonyms
  • 5-n-eicosylresorcinol
LM ID
LMPK15030046
Status
Active
Exact Mass
Calculate m/z
390.34978
Formula
C26H46O2
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)
JCDQIGVVGKBORW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(28)22-24/h21-23,27-28H,2-20H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCC)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

Other Databases

PubChem CID
15775324

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 444.76
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.68
Molar Refractivity 122.26

Admin

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