Structure Database (LMSD)

Common Name
N-(3-oxo-hexanoyl)-homoserine lactone
Systematic Name
N-(3-oxo-hexanoyl)-homoserine lactone
Synonyms
  • N-(3-Oxohexanoyl)homoserine lactone
LM ID
LMFA08030003
Status
Active
Exact Mass
Calculate m/z
213.100109
Formula



Download as...
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)
YRYOXRMDHALAFL-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CC(=O)CCC

References

Reference
Structural identification of autoinducer of Photobacterium fischeri luciferase
Biochemistry 1981
DOI: 10.1021/bi00512a013
PMID: 7236614

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aliivibrio fischeri (#668)
Gammaproteobacteria (#1236)
Structural identification of autoinducer of Photobacterium fischeri luciferase,
Biochemistry, 1981
Pubmed ID: 7236614

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 207.44
Topological Polar Surface Area 74.54
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 0.75
Molar Refractivity 53.04

Admin

Created at
-
Updated at
17th Nov 2020