Structure Database (LMSD)

Common Name
N-(7-methyloctanoyl)homoserine lactone
Systematic Name
N-(7-methyloctanoyl)homoserine lactone
Synonyms
LM ID
LMFA08030041
Status
Active
Exact Mass
Calculate m/z
241.167794
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KUHGURYHJUOXBF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H23NO3/c1-10(2)6-4-3-5-7-12(15)14-11-8-9-17-13(11)16/h10-11H,3-9H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(CCCCCC(C)C)(=O)NC1C(=O)OCC1

References

Reference
New structural variants of homoserine lactones in bacteria.
Chembiochem, 2009
DOI: 10.1002/cbic.200900126
PMID: 19533714

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aeromonas veronii (#654)
Gammaproteobacteria (#1236)
New structural variants of homoserine lactones in bacteria.,
Chembiochem, 2009
Pubmed ID: 19533714

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 253.19
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 2.60
Molar Refractivity 66.43

Admin

Created at
6th Nov 2020
Updated at
6th Nov 2020