Structure Database (LMSD)

Common Name
N-pentanoyl-homoserine lactone
Systematic Name
N-pentanoyl-homoserine lactone
Synonyms
  • C5:0-HSL
  • C5-HSL
LM ID
LMFA08030030
Formula
Exact Mass
Calculate m/z
185.105194
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)
BFIMURGDHGARTN-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C9H15NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CCCC

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 183.99
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 1.18
Molar Refractivity 48.03

Admin

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