Structure Database (LMSD)

Common Name
N-(3-oxo-pentanoyl)-homoserine lactone
Systematic Name
N-(3-oxo-pentanoyl)-homoserine lactone
Synonyms
  • 3-oxo-C5:0-HSL
  • 3O-C5-HSL
LM ID
LMFA08030031
Formula
Exact Mass
Calculate m/z
199.084459
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthesis of N-acyl homoserine lactone analogues reveals strong activators of SdiA, the Salmonella enterica serovar Typhimurium LuxR homologue,
Appl Environ Microbiol, 2007
Pubmed ID: 17085703

String Representations

InChiKey (Click to copy)
SCRBQXWVQAXYJP-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C9H13NO4/c1-2-6(11)5-8(12)10-7-3-4-14-9(7)13/h7H,2-5H2,1H3,(H,10,12)/t7-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CC(=O)CC

Other Databases

PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 190.14
Topological Polar Surface Area 74.54
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 0.36
Molar Refractivity 48.42

Admin

Created at
2nd Jul 2019
Updated at
2nd Jul 2019