Structure Database (LMSD)
Common Name
N-(4-phenyl-3-oxo-tetranoyl)-homoserine lactone
Systematic Name
N-(4-phenyl-3-oxo-tetranoyl)-homoserine lactone
Synonyms
- 4-Phenyl-3-oxo-C4-HSL
- 4-Ph-3O-C4-HSL
3D model of N-(4-phenyl-3-oxo-tetranoyl)-homoserine lactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Appl Environ Microbiol, 2007
Pubmed ID:
17085703
DOI:
10.1128/AEM.01451-06
String Representations
InChiKey (Click to copy)
SZKJWOMSLREKNK-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CC(=O)CC1C=CC=CC=1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
2
Aromatic Rings
1
Rotatable Bonds
5
Van der Waals Molecular Volume
245.46
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
1.19
Molar Refractivity
68.28
Admin
Created at
5th Jul 2019
Updated at
8th Jul 2019